2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid

C10H16N2O4 — CID 43170550

IUPAC2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC(C)N1CC(C(=O)NCC(=O)O)CC1=O
InChIInChI=1S/C10H16N2O4/c1-6(2)12-5-7(3-8(12)13)10(16)11-4-9(14)15/h6-7H,3-5H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyGEYMEGPKYUGBFR-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.56
Rot. Bonds4

About 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid

2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 43170550) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID43170550
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC(C)N1CC(C(=O)NCC(=O)O)CC1=O
InChIInChI=1S/C10H16N2O4/c1-6(2)12-5-7(3-8(12)13)10(16)11-4-9(14)15/h6-7H,3-5H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyGEYMEGPKYUGBFR-UHFFFAOYSA-N
XLogP-0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65220584
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113232057
N-(5-hydroxypentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 107318400
N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108538490
(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid
CID 61153323
N-(2-hydroxy-4-methylpentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 103771609
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
N-(2-hydroxy-2-phenylethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 43427845
(2R)-3-hydroxy-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80749560
phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate
CID 108572395
N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108572384
5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide
CID 81343790

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid (CID 43170550) is 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid is CC(C)N1CC(C(=O)NCC(=O)O)CC1=O.
What is the InChIKey of 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is GEYMEGPKYUGBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(2)12-5-7(3-8(12)13)10(16)11-4-9(14)15/h6-7H,3-5H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid?
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 43170550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).