4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid

C20H30N2O4 — CID 122028070

IUPAC4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESCCC1(CO)CCCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O4/c1-2-20(15-23)11-6-12-22(14-20)19(26)21-17(9-10-18(24)25)13-16-7-4-3-5-8-16/h3-5,7-8,17,23H,2,6,9-15H2,1H3,(H,21,26)(H,24,25)
InChIKeyBAVOXCUNXGVYMF-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.66
Rot. Bonds8

About 4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid

4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 122028070) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID122028070
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESCCC1(CO)CCCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O4/c1-2-20(15-23)11-6-12-22(14-20)19(26)21-17(9-10-18(24)25)13-16-7-4-3-5-8-16/h3-5,7-8,17,23H,2,6,9-15H2,1H3,(H,21,26)(H,24,25)
InChIKeyBAVOXCUNXGVYMF-UHFFFAOYSA-N
XLogP2.66
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[3-ethyl-3-(hydroxymethyl)piperidine-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-[[3-(hydroxymethyl)-3-propylpyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027615
3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide
CID 136533677
4-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027723
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028048
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
5-phenyl-4-[(2-propan-2-yl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 122027508
4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027602
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028242
4-[[3-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027435

Frequently Asked Questions

What is the IUPAC name of 4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid (CID 122028070) is 4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid is CCC1(CO)CCCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1.
What is the InChIKey of 4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is BAVOXCUNXGVYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-2-20(15-23)11-6-12-22(14-20)19(26)21-17(9-10-18(24)25)13-16-7-4-3-5-8-16/h3-5,7-8,17,23H,2,6,9-15H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 362.47 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).