4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid

C17H24N2O5 — CID 122028122

IUPAC4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CC(O)CC1CO
InChIInChI=1S/C17H24N2O5/c20-11-14-9-15(21)10-19(14)17(24)18-13(6-7-16(22)23)8-12-4-2-1-3-5-12/h1-5,13-15,20-21H,6-11H2,(H,18,24)(H,22,23)
InChIKeyARYDYAWEZUTOPR-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.60
Rot. Bonds7

About 4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid

4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 122028122) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID122028122
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CC(O)CC1CO
InChIInChI=1S/C17H24N2O5/c20-11-14-9-15(21)10-19(14)17(24)18-13(6-7-16(22)23)8-12-4-2-1-3-5-12/h1-5,13-15,20-21H,6-11H2,(H,18,24)(H,22,23)
InChIKeyARYDYAWEZUTOPR-UHFFFAOYSA-N
XLogP0.60
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic 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

4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027848
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027113
4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122028137
4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027495
4-[[2-[2-(ethylamino)-2-oxoethyl]piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027859
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122028386
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid (CID 122028122) is 4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)N1CC(O)CC1CO.
What is the InChIKey of 4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is ARYDYAWEZUTOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c20-11-14-9-15(21)10-19(14)17(24)18-13(6-7-16(22)23)8-12-4-2-1-3-5-12/h1-5,13-15,20-21H,6-11H2,(H,18,24)(H,22,23).
What are the key properties of 4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid?
4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 336.39 g/mol, XLogP of 0.60, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).