2-[4-(2-aminohexanoyl)phenyl]acetic acid

C14H19NO3 — CID 70523747

IUPAC2-[4-(2-aminohexanoyl)phenyl]acetic acid
SMILESCCCCC(N)C(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-2-3-4-12(15)14(18)11-7-5-10(6-8-11)9-13(16)17/h5-8,12H,2-4,9,15H2,1H3,(H,16,17)
InChIKeyVHKSFZGTZZWPCK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.01
Rot. Bonds7

About 2-[4-(2-aminohexanoyl)phenyl]acetic acid

2-[4-(2-aminohexanoyl)phenyl]acetic acid (PubChem CID 70523747) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[4-(2-aminohexanoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-aminohexanoyl)phenyl]acetic acid
PubChem CID70523747
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[4-(2-aminohexanoyl)phenyl]acetic acid
SMILESCCCCC(N)C(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-2-3-4-12(15)14(18)11-7-5-10(6-8-11)9-13(16)17/h5-8,12H,2-4,9,15H2,1H3,(H,16,17)
InChIKeyVHKSFZGTZZWPCK-UHFFFAOYSA-N
XLogP2.01
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-phenylhexan-1-one
CID 139626010
2-amino-1-(3,4-dichlorophenyl)hexan-1-one
CID 116556832
ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate
CID 67620780
2-[3-[[(2S)-2-aminohexanoyl]amino]phenyl]acetic acid
CID 107145776
2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one
CID 116920613
2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one
CID 116567442
4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid
CID 82348060
2-[4-(2-oxoundecyl)phenyl]acetic acid
CID 157258088
(4S)-4-amino-5-oxo-5-phenylpentanoic acid
CID 95949821
2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid
CID 69354051
2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride
CID 73014170
2-[4-(2-methylheptoxy)phenyl]acetic acid
CID 54140493

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminohexanoyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2-aminohexanoyl)phenyl]acetic acid (CID 70523747) is 2-[4-(2-aminohexanoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2-aminohexanoyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2-aminohexanoyl)phenyl]acetic acid is CCCCC(N)C(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-aminohexanoyl)phenyl]acetic acid?
The InChIKey is VHKSFZGTZZWPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-3-4-12(15)14(18)11-7-5-10(6-8-11)9-13(16)17/h5-8,12H,2-4,9,15H2,1H3,(H,16,17).
What are the key properties of 2-[4-(2-aminohexanoyl)phenyl]acetic acid?
2-[4-(2-aminohexanoyl)phenyl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminohexanoyl)phenyl]acetic acid is sourced from PubChem (CID 70523747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).