2-[3-(3-aminophenyl)propanoylamino]pentanoic acid

C14H20N2O3 — CID 115341301

IUPAC2-[3-(3-aminophenyl)propanoylamino]pentanoic acid
SMILESCCCC(NC(=O)CCc1cccc(N)c1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-4-12(14(18)19)16-13(17)8-7-10-5-3-6-11(15)9-10/h3,5-6,9,12H,2,4,7-8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyPOAPUZDLABMUNT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.57
Rot. Bonds7

About 2-[3-(3-aminophenyl)propanoylamino]pentanoic acid

2-[3-(3-aminophenyl)propanoylamino]pentanoic acid (PubChem CID 115341301) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[3-(3-aminophenyl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[3-(3-aminophenyl)propanoylamino]pentanoic acid
PubChem CID115341301
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[3-(3-aminophenyl)propanoylamino]pentanoic acid
SMILESCCCC(NC(=O)CCc1cccc(N)c1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-4-12(14(18)19)16-13(17)8-7-10-5-3-6-11(15)9-10/h3,5-6,9,12H,2,4,7-8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyPOAPUZDLABMUNT-UHFFFAOYSA-N
XLogP1.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309032
2-[3-(3-aminophenyl)propanoylamino]-3-methoxypropanoic acid
CID 115341613
(2R)-2-[3-(3-aminophenyl)propanoylamino]propanoic acid
CID 113290562
2-[[3-(3-aminophenyl)propanoylamino]methyl]pentanoic acid
CID 115341508
4-[3-(3-aminophenyl)propanoylamino]-2-methylbutanoic acid
CID 115341605
3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
CID 54955617
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
(2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid
CID 93252359
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728
(2S)-2-(8-phenyloctanoylamino)pentanoic acid
CID 67898131
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]pentanoic acid
CID 107563743

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminophenyl)propanoylamino]pentanoic acid?
The IUPAC name of 2-[3-(3-aminophenyl)propanoylamino]pentanoic acid (CID 115341301) is 2-[3-(3-aminophenyl)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-[3-(3-aminophenyl)propanoylamino]pentanoic acid?
The canonical SMILES for 2-[3-(3-aminophenyl)propanoylamino]pentanoic acid is CCCC(NC(=O)CCc1cccc(N)c1)C(=O)O.
What is the InChIKey of 2-[3-(3-aminophenyl)propanoylamino]pentanoic acid?
The InChIKey is POAPUZDLABMUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-4-12(14(18)19)16-13(17)8-7-10-5-3-6-11(15)9-10/h3,5-6,9,12H,2,4,7-8,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(3-aminophenyl)propanoylamino]pentanoic acid?
2-[3-(3-aminophenyl)propanoylamino]pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminophenyl)propanoylamino]pentanoic acid is sourced from PubChem (CID 115341301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).