4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid

C14H18N2O4 — CID 61188920

IUPAC4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)N1CC(O)CC1C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-9(10-5-3-2-4-6-10)15-14(20)16-8-11(17)7-12(16)13(18)19/h2-6,9,11-12,17H,7-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyOJLHNNBRPWVVPR-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.98
Rot. Bonds3

About 4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 61188920) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID61188920
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)N1CC(O)CC1C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-9(10-5-3-2-4-6-10)15-14(20)16-8-11(17)7-12(16)13(18)19/h2-6,9,11-12,17H,7-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyOJLHNNBRPWVVPR-UHFFFAOYSA-N
XLogP0.98
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-hydroxy-1-[1-(4-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63844244
(2R,4R)-1-[1-(3-chlorophenyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000432
(2S)-1-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61470725
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61189106
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
(2S,4S)-1-(butan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714443
(2S,4S)-4-hydroxy-1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714663
4-hydroxy-1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63292406
4-hydroxy-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61198027
1-(but-3-yn-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114418303
(2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196296
(2S,4S)-4-hydroxy-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64713050

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 61188920) is 4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid is CC(NC(=O)N1CC(O)CC1C(=O)O)c1ccccc1.
What is the InChIKey of 4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OJLHNNBRPWVVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(10-5-3-2-4-6-10)15-14(20)16-8-11(17)7-12(16)13(18)19/h2-6,9,11-12,17H,7-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61188920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).