ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate

C12H22N2O4 — CID 54916695

IUPACethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)C1CC(O)CN1)C(C)C
InChIInChI=1S/C12H22N2O4/c1-4-18-11(16)7-14(8(2)3)12(17)10-5-9(15)6-13-10/h8-10,13,15H,4-7H2,1-3H3
InChIKeyZCFMKQCBBNLENF-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.49
Rot. Bonds5

About ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate

ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate (PubChem CID 54916695) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate
PubChem CID54916695
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)C1CC(O)CN1)C(C)C
InChIInChI=1S/C12H22N2O4/c1-4-18-11(16)7-14(8(2)3)12(17)10-5-9(15)6-13-10/h8-10,13,15H,4-7H2,1-3H3
InChIKeyZCFMKQCBBNLENF-UHFFFAOYSA-N
XLogP-0.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 82948394
ethyl 2-[propan-2-yl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetate
CID 103760799
N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61214612
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate
CID 114826513
ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate
CID 54896586
N-(2-amino-2-oxoethyl)-4-hydroxy-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60963717
ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate
CID 76894068
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 43588844
4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 19907192
methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate
CID 54871877
ethyl 2-[(1,1-dioxothiane-2-carbonyl)-propan-2-ylamino]acetate
CID 104520869

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate (CID 54916695) is ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)C1CC(O)CN1)C(C)C.
What is the InChIKey of ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is ZCFMKQCBBNLENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-18-11(16)7-14(8(2)3)12(17)10-5-9(15)6-13-10/h8-10,13,15H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate?
ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 258.32 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 54916695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).