4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid

C18H26N2O5 — CID 122027848

IUPAC4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESCO[C@@H]1C[C@@H](CO)N(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C18H26N2O5/c1-25-16-10-15(12-21)20(11-16)18(24)19-14(7-8-17(22)23)9-13-5-3-2-4-6-13/h2-6,14-16,21H,7-12H2,1H3,(H,19,24)(H,22,23)/t14?,15-,16+/m0/s1
InChIKeyILKGLXYRRCRNCZ-MERJSTESSA-N
MW350.42 g/mol
LogP1.25
Rot. Bonds8

About 4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid

4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 122027848) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID122027848
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESCO[C@@H]1C[C@@H](CO)N(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C18H26N2O5/c1-25-16-10-15(12-21)20(11-16)18(24)19-14(7-8-17(22)23)9-13-5-3-2-4-6-13/h2-6,14-16,21H,7-12H2,1H3,(H,19,24)(H,22,23)/t14?,15-,16+/m0/s1
InChIKeyILKGLXYRRCRNCZ-MERJSTESSA-N
XLogP1.25
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-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-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028122
1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-3-phenylmethoxypropan-1-one
CID 128984916
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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027495
4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122028137
4-[[2-[2-(ethylamino)-2-oxoethyl]piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027859
4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027602
4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
CID 122027734
4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122028386
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid (CID 122027848) is 4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid is CO[C@@H]1C[C@@H](CO)N(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1.
What is the InChIKey of 4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is ILKGLXYRRCRNCZ-MERJSTESSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-25-16-10-15(12-21)20(11-16)18(24)19-14(7-8-17(22)23)9-13-5-3-2-4-6-13/h2-6,14-16,21H,7-12H2,1H3,(H,19,24)(H,22,23)/t14?,15-,16+/m0/s1.
What are the key properties of 4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid?
4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 350.42 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).