1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C14H16N2O5 — CID 43356772

IUPAC1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)N2CC(O)CC2C(=O)O)cc1
InChIInChI=1S/C14H16N2O5/c1-8(17)15-10-4-2-9(3-5-10)13(19)16-7-11(18)6-12(16)14(20)21/h2-5,11-12,18H,6-7H2,1H3,(H,15,17)(H,20,21)
InChIKeyMVKBFIKPDOMUJX-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.31
Rot. Bonds3

About 1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 43356772) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID43356772
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)N2CC(O)CC2C(=O)O)cc1
InChIInChI=1S/C14H16N2O5/c1-8(17)15-10-4-2-9(3-5-10)13(19)16-7-11(18)6-12(16)14(20)21/h2-5,11-12,18H,6-7H2,1H3,(H,15,17)(H,20,21)
InChIKeyMVKBFIKPDOMUJX-UHFFFAOYSA-N
XLogP0.31
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic 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

(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(2R,4R)-4-hydroxy-1-(4-methylsulfanylbenzoyl)pyrrolidine-2-carboxylic acid
CID 79000986
(2S,4R)-1-[4-(aminomethyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 55261895
(2S)-1-(4-cyanobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61152938
(2S)-1-(3,4-difluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153392
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43185753
(2S,4S)-1-(3,4-dimethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30073924
(2S,4S)-1-[(4-ethylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712537
(2S,4S)-1-(4-chloro-3-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113397107
1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356769
(2S,4R)-4-hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid
CID 739262

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 43356772) is 1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid is CC(=O)Nc1ccc(C(=O)N2CC(O)CC2C(=O)O)cc1.
What is the InChIKey of 1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is MVKBFIKPDOMUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8(17)15-10-4-2-9(3-5-10)13(19)16-7-11(18)6-12(16)14(20)21/h2-5,11-12,18H,6-7H2,1H3,(H,15,17)(H,20,21).
What are the key properties of 1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43356772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).