2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid

C12H20N2O4 — CID 120581106

IUPAC2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(=O)N1CCCC1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C12H20N2O4/c1-8(2)14(7-11(16)17)12(18)10-5-4-6-13(10)9(3)15/h8,10H,4-7H2,1-3H3,(H,16,17)
InChIKeyUFJXRDMCGJOSFT-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.32
Rot. Bonds4

About 2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid

2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 120581106) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID120581106
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(=O)N1CCCC1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C12H20N2O4/c1-8(2)14(7-11(16)17)12(18)10-5-4-6-13(10)9(3)15/h8,10H,4-7H2,1-3H3,(H,16,17)
InChIKeyUFJXRDMCGJOSFT-UHFFFAOYSA-N
XLogP0.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-acetylpyrrolidin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 66565397
(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 101411336
1-(2-aminoacetyl)-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 23588056
(2R)-1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922543
2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid
CID 82750454
2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61189877
2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]-tert-butylamino]acetic acid
CID 67058651
propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate
CID 131843971
2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159901
2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565402
2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 62406177
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid (CID 120581106) is 2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid is CC(=O)N1CCCC1C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is UFJXRDMCGJOSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(2)14(7-11(16)17)12(18)10-5-4-6-13(10)9(3)15/h8,10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid?
2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120581106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).