5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid

C15H22N2O3 — CID 82845827

IUPAC5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cc1ccccc1CN
InChIInChI=1S/C15H22N2O3/c1-11(5-4-8-15(19)20)17-14(18)9-12-6-2-3-7-13(12)10-16/h2-3,6-7,11H,4-5,8-10,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyCAEHMYRJRSFQAG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.45
Rot. Bonds8

About 5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid

5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid (PubChem CID 82845827) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid
PubChem CID82845827
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cc1ccccc1CN
InChIInChI=1S/C15H22N2O3/c1-11(5-4-8-15(19)20)17-14(18)9-12-6-2-3-7-13(12)10-16/h2-3,6-7,11H,4-5,8-10,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyCAEHMYRJRSFQAG-UHFFFAOYSA-N
XLogP1.45
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid
CID 81322254
2-[2-(aminomethyl)phenyl]-N-(1-phenylpropan-2-yl)acetamide
CID 81312625
5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
CID 82855066
5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 82846901
5-[(2-aminoacetyl)amino]hexanoic acid
CID 82846044
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide
CID 81318090
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
CID 82847398
5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
CID 82855203
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613
5-[[2-(2,5-dimethylphenyl)acetyl]amino]hexanoic acid
CID 82854155
5-[[2-(3-bromophenyl)acetyl]amino]hexanoic acid
CID 82854620

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid?
The IUPAC name of 5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid (CID 82845827) is 5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid?
The canonical SMILES for 5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)Cc1ccccc1CN.
What is the InChIKey of 5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid?
The InChIKey is CAEHMYRJRSFQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(5-4-8-15(19)20)17-14(18)9-12-6-2-3-7-13(12)10-16/h2-3,6-7,11H,4-5,8-10,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid?
5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid is sourced from PubChem (CID 82845827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).