1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate

C13H24N2O5 — CID 174761094

IUPAC1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate
SMILESCC(=O)OC(C)N(C)C(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-9(19-10(2)16)15(7)11(17)8-14(6)12(18)20-13(3,4)5/h9H,8H2,1-7H3
InChIKeyBEBCVLWAKIARQP-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.22
Rot. Bonds4

About 1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate

1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate (PubChem CID 174761094) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate.

Molecular Properties

Compound Name1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate
PubChem CID174761094
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate
SMILESCC(=O)OC(C)N(C)C(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-9(19-10(2)16)15(7)11(17)8-14(6)12(18)20-13(3,4)5/h9H,8H2,1-7H3
InChIKeyBEBCVLWAKIARQP-UHFFFAOYSA-N
XLogP1.22
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate
CID 162762707
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate
CID 177118465
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
CID 56698929
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate?
The IUPAC name of 1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate (CID 174761094) is 1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate.
What is the SMILES notation for 1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate?
The canonical SMILES for 1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate is CC(=O)OC(C)N(C)C(=O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of 1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate?
The InChIKey is BEBCVLWAKIARQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-9(19-10(2)16)15(7)11(17)8-14(6)12(18)20-13(3,4)5/h9H,8H2,1-7H3.
What are the key properties of 1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate?
1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate has a molecular weight of 288.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate is sourced from PubChem (CID 174761094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).