(2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate

C70H125N9O23 — CID 159503239

IUPAC(2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate
SMILESC1CN[C@H](C2CC2)CN1.CC(=O)OCC(C)C.CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCCC(=O)[C@H](N)C1CC1.CCCC(=O)[C@H](NC(=O)OC(C)(C)C)C1CC1.CCN.N[C@@H](C(=O)O)C1CC1.O=C1CNC(=O)[C@@H](C2CC2)N1.O=C=O.O=C=O
InChIInChI=1S/C13H23NO3.C10H17NO4.C10H18O5.C8H15NO.C7H10N2O2.C7H14N2.C6H12O2.C5H9NO2.C2H7N.2CO2/c1-5-6-10(15)11(9-7-8-9)14-12(16)17-13(2,3)4;1-10(2,3)15-9(14)11-7(8(12)13)6-4-5-6;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2-3-7(10)8(9)6-4-5-6;10-5-3-8-7(11)6(9-5)4-1-2-4;1-2-6(1)7-5-8-3-4-9-7;1-5(2)4-8-6(3)7;6-4(5(7)8)3-1-2-3;1-2-3;2*2-1-3/h9,11H,5-8H2,1-4H3,(H,14,16);6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13);1-6H3;6,8H,2-5,9H2,1H3;4,6H,1-3H2,(H,8,11)(H,9,10);6-9H,1-5H2;5H,4H2,1-3H3;3-4H,1-2,6H2,(H,7,8);2-3H2,1H3;;/t11-;7-;;8-;6-;7-;;4-;;;/m11.110.1.../s1
InChIKeyLZQRCQSTKOUYGA-XIERTFAPSA-N
MW1460.81 g/mol
LogP6.78
Rot. Bonds18

About (2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate

(2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate (PubChem CID 159503239) has the molecular formula C70H125N9O23 and a molecular weight of 1460.81 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate
PubChem CID159503239
Molecular FormulaC70H125N9O23
Molecular Weight1460.81 g/mol
Exact Mass1459.89
IUPAC Name(2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate
SMILESC1CN[C@H](C2CC2)CN1.CC(=O)OCC(C)C.CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCCC(=O)[C@H](N)C1CC1.CCCC(=O)[C@H](NC(=O)OC(C)(C)C)C1CC1.CCN.N[C@@H](C(=O)O)C1CC1.O=C1CNC(=O)[C@@H](C2CC2)N1.O=C=O.O=C=O
InChIInChI=1S/C13H23NO3.C10H17NO4.C10H18O5.C8H15NO.C7H10N2O2.C7H14N2.C6H12O2.C5H9NO2.C2H7N.2CO2/c1-5-6-10(15)11(9-7-8-9)14-12(16)17-13(2,3)4;1-10(2,3)15-9(14)11-7(8(12)13)6-4-5-6;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2-3-7(10)8(9)6-4-5-6;10-5-3-8-7(11)6(9-5)4-1-2-4;1-2-6(1)7-5-8-3-4-9-7;1-5(2)4-8-6(3)7;6-4(5(7)8)3-1-2-3;1-2-3;2*2-1-3/h9,11H,5-8H2,1-4H3,(H,14,16);6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13);1-6H3;6,8H,2-5,9H2,1H3;4,6H,1-3H2,(H,8,11)(H,9,10);6-9H,1-5H2;5H,4H2,1-3H3;3-4H,1-2,6H2,(H,7,8);2-3H2,1H3;;/t11-;7-;;8-;6-;7-;;4-;;;/m11.110.1.../s1
InChIKeyLZQRCQSTKOUYGA-XIERTFAPSA-N
XLogP6.78
TPSA502.13 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001460.81
LogP ≤ 56.78
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate?
The IUPAC name of (2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate (CID 159503239) is (2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate.
What is the SMILES notation for (2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate?
The canonical SMILES for (2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate is C1CN[C@H](C2CC2)CN1.CC(=O)OCC(C)C.CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCCC(=O)[C@H](N)C1CC1.CCCC(=O)[C@H](NC(=O)OC(C)(C)C)C1CC1.CCN.N[C@@H](C(=O)O)C1CC1.O=C1CNC(=O)[C@@H](C2CC2)N1.O=C=O.O=C=O.
What is the InChIKey of (2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate?
The InChIKey is LZQRCQSTKOUYGA-XIERTFAPSA-N. The full InChI is InChI=1S/C13H23NO3.C10H17NO4.C10H18O5.C8H15NO.C7H10N2O2.C7H14N2.C6H12O2.C5H9NO2.C2H7N.2CO2/c1-5-6-10(15)11(9-7-8-9)14-12(16)17-13(2,3)4;1-10(2,3)15-9(14)11-7(8(12)13)6-4-5-6;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2-3-7(10)8(9)6-4-5-6;10-5-3-8-7(11)6(9-5)4-1-2-4;1-2-6(1)7-5-8-3-4-9-7;1-5(2)4-8-6(3)7;6-4(5(7)8)3-1-2-3;1-2-3;2*2-1-3/h9,11H,5-8H2,1-4H3,(H,14,16);6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13);1-6H3;6,8H,2-5,9H2,1H3;4,6H,1-3H2,(H,8,11)(H,9,10);6-9H,1-5H2;5H,4H2,1-3H3;3-4H,1-2,6H2,(H,7,8);2-3H2,1H3;;/t11-;7-;;8-;6-;7-;;4-;;;/m11.110.1.../s1.
What are the key properties of (2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate?
(2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate has a molecular weight of 1460.81 g/mol, XLogP of 6.78, 18 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-cyclopropylacetic acid;(1R)-1-amino-1-cyclopropylpentan-2-one;tert-butyl N-[(1R)-1-cyclopropyl-2-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;bis(carbon dioxide);(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-cyclopropylpiperazine;(3R)-3-cyclopropylpiperazine-2,5-dione;ethanamine;2-methylpropyl acetate is sourced from PubChem (CID 159503239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).