(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid

C15H19NO4 — CID 107564291

IUPAC(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
SMILESC=CCOc1ccc(C(=O)N[C@@H](CCC)C(=O)O)cc1
InChIInChI=1S/C15H19NO4/c1-3-5-13(15(18)19)16-14(17)11-6-8-12(9-7-11)20-10-4-2/h4,6-9,13H,2-3,5,10H2,1H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyUZCMSFJHDOEKIU-ZDUSSCGKSA-N
MW277.32 g/mol
LogP2.23
Rot. Bonds8

About (2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid

(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid (PubChem CID 107564291) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
PubChem CID107564291
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
SMILESC=CCOc1ccc(C(=O)N[C@@H](CCC)C(=O)O)cc1
InChIInChI=1S/C15H19NO4/c1-3-5-13(15(18)19)16-14(17)11-6-8-12(9-7-11)20-10-4-2/h4,6-9,13H,2-3,5,10H2,1H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyUZCMSFJHDOEKIU-ZDUSSCGKSA-N
XLogP2.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-hydroxy-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid
CID 107822149
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
(2R)-4-amino-4-oxo-2-[(4-prop-2-enoxybenzoyl)amino]butanoic acid
CID 107821251
(2R)-2-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 54990441
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
CID 107144444
(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid
CID 107822214
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
(2S)-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564143
2-[(4-ethoxybenzoyl)amino]-4-ethylsulfonylbutanoic acid
CID 108755160
N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide
CID 40746031

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid (CID 107564291) is (2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid is C=CCOc1ccc(C(=O)N[C@@H](CCC)C(=O)O)cc1.
What is the InChIKey of (2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid?
The InChIKey is UZCMSFJHDOEKIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-5-13(15(18)19)16-14(17)11-6-8-12(9-7-11)20-10-4-2/h4,6-9,13H,2-3,5,10H2,1H3,(H,16,17)(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid?
(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 107564291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).