3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid

C14H20N2O3 — CID 81073117

IUPAC3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)Cc1cccc(N)c1)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-10(8-14(18)19)9-16-13(17)7-11-4-3-5-12(15)6-11/h3-6,10H,2,7-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyLASVWIWXPIOZHY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.43
Rot. Bonds7

About 3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid

3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid (PubChem CID 81073117) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid
PubChem CID81073117
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)Cc1cccc(N)c1)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-10(8-14(18)19)9-16-13(17)7-11-4-3-5-12(15)6-11/h3-6,10H,2,7-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyLASVWIWXPIOZHY-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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

4-[[2-(3-aminophenyl)acetyl]amino]-3-methoxybutanoic acid
CID 103156979
1-(3-aminophenyl)-4-ethylhexan-2-one
CID 116577226
3-[[2-(3-aminophenyl)acetyl]amino]-2-methylpropanoic acid
CID 65349881
5-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 82689160
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide
CID 113266165
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
3-[[(2-aminoacetyl)amino]methyl]pentanoic acid
CID 81072834
2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303
2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 106343741
2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
CID 62500011

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid (CID 81073117) is 3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid is CCC(CNC(=O)Cc1cccc(N)c1)CC(=O)O.
What is the InChIKey of 3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid?
The InChIKey is LASVWIWXPIOZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-10(8-14(18)19)9-16-13(17)7-11-4-3-5-12(15)6-11/h3-6,10H,2,7-9,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid?
3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81073117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).