4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid

C14H20N2O3 — CID 81322254

IUPAC4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)Cc1ccccc1CN
InChIInChI=1S/C14H20N2O3/c1-10(6-7-14(18)19)16-13(17)8-11-4-2-3-5-12(11)9-15/h2-5,10H,6-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyFWKJRMUHPZCCGQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.06
Rot. Bonds7

About 4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid

4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid (PubChem CID 81322254) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid
PubChem CID81322254
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)Cc1ccccc1CN
InChIInChI=1S/C14H20N2O3/c1-10(6-7-14(18)19)16-13(17)8-11-4-2-3-5-12(11)9-15/h2-5,10H,6-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyFWKJRMUHPZCCGQ-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid
CID 82845827
2-[2-(aminomethyl)phenyl]-N-(1-phenylpropan-2-yl)acetamide
CID 81312625
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide
CID 81318090
2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 81322851
methyl 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-methylbutanoate
CID 81321719
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
2-[2-(aminomethyl)phenyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 81312311
4-[[(2S)-2-phenylpropanoyl]amino]pentanoic acid
CID 120689373
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 81312733
2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 81313304
2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 81317529
3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 43240713

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid?
The IUPAC name of 4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid (CID 81322254) is 4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid?
The canonical SMILES for 4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid is CC(CCC(=O)O)NC(=O)Cc1ccccc1CN.
What is the InChIKey of 4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid?
The InChIKey is FWKJRMUHPZCCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(6-7-14(18)19)16-13(17)8-11-4-2-3-5-12(11)9-15/h2-5,10H,6-9,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid?
4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid is sourced from PubChem (CID 81322254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).