(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid

C15H21NO4 — CID 107144444

IUPAC(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccc(OCC)cc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-3-5-6-13(15(18)19)16-14(17)11-7-9-12(10-8-11)20-4-2/h7-10,13H,3-6H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyOVQFLZSDXURQKZ-ZDUSSCGKSA-N
MW279.34 g/mol
LogP2.46
Rot. Bonds8

About (2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid

(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid (PubChem CID 107144444) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
PubChem CID107144444
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccc(OCC)cc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-3-5-6-13(15(18)19)16-14(17)11-7-9-12(10-8-11)20-4-2/h7-10,13H,3-6H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyOVQFLZSDXURQKZ-ZDUSSCGKSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
2-[(4-ethoxybenzoyl)amino]-4-ethylsulfonylbutanoic acid
CID 108755160
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
(2S)-2-[[4-(trifluoromethoxy)benzoyl]amino]hexanoic acid
CID 120614931
2-[(4-methylsulfanylbenzoyl)amino]hexanoic acid
CID 43387142
(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid
CID 107822214
(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564291
2-[[4-(phenylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120537960
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid
CID 120614965
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid (CID 107144444) is (2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1ccc(OCC)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid?
The InChIKey is OVQFLZSDXURQKZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-5-6-13(15(18)19)16-14(17)11-7-9-12(10-8-11)20-4-2/h7-10,13H,3-6H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid?
(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid is sourced from PubChem (CID 107144444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).