(2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid

C19H19ClN2O5 — CID 3043980

IUPAC(2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid
SMILESO=C(NCCC[C@H](NC(=O)c1ccc(O)cc1)C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O5/c20-14-7-3-12(4-8-14)17(24)21-11-1-2-16(19(26)27)22-18(25)13-5-9-15(23)10-6-13/h3-10,16,23H,1-2,11H2,(H,21,24)(H,22,25)(H,26,27)/t16-/m0/s1
InChIKeyBCLOLTMNVUDHPJ-INIZCTEOSA-N
MW390.82 g/mol
LogP2.44
Rot. Bonds8

About (2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid

(2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid (PubChem CID 3043980) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is (2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid
PubChem CID3043980
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name(2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid
SMILESO=C(NCCC[C@H](NC(=O)c1ccc(O)cc1)C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O5/c20-14-7-3-12(4-8-14)17(24)21-11-1-2-16(19(26)27)22-18(25)13-5-9-15(23)10-6-13/h3-10,16,23H,1-2,11H2,(H,21,24)(H,22,25)(H,26,27)/t16-/m0/s1
InChIKeyBCLOLTMNVUDHPJ-INIZCTEOSA-N
XLogP2.44
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis[(3,4,5-trihydroxybenzoyl)amino]pentanoic acid
CID 15957861
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-[(4-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 80538177
(2S)-2,6-bis[(4-phenyldiazenylbenzoyl)amino]hexanoic acid
CID 14503337
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 80539044
2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 104681984
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801
N-(5-bromo-4-methylpentyl)-4-chlorobenzamide
CID 106157415

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid?
The IUPAC name of (2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid (CID 3043980) is (2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid?
The canonical SMILES for (2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid is O=C(NCCC[C@H](NC(=O)c1ccc(O)cc1)C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid?
The InChIKey is BCLOLTMNVUDHPJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c20-14-7-3-12(4-8-14)17(24)21-11-1-2-16(19(26)27)22-18(25)13-5-9-15(23)10-6-13/h3-10,16,23H,1-2,11H2,(H,21,24)(H,22,25)(H,26,27)/t16-/m0/s1.
What are the key properties of (2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid?
(2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid has a molecular weight of 390.82 g/mol, XLogP of 2.44, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[(4-chlorobenzoyl)amino]-2-[(4-hydroxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 3043980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).