2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid

C15H22N2O4 — CID 67056300

IUPAC2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid
SMILESCCN(CC)C(C(=O)O)C(C)NC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H22N2O4/c1-4-17(5-2)13(15(20)21)10(3)16-14(19)11-6-8-12(18)9-7-11/h6-10,13,18H,4-5H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyJXNVARJWDVCZLJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.31
Rot. Bonds7

About 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid

2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid (PubChem CID 67056300) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid
PubChem CID67056300
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid
SMILESCCN(CC)C(C(=O)O)C(C)NC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H22N2O4/c1-4-17(5-2)13(15(20)21)10(3)16-14(19)11-6-8-12(18)9-7-11/h6-10,13,18H,4-5H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyJXNVARJWDVCZLJ-UHFFFAOYSA-N
XLogP1.31
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(3-methylbutan-2-yl)benzamide
CID 43084897
2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid
CID 70375568
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 60709622
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190
N-(4-aminobutan-2-yl)-4-hydroxybenzamide
CID 62092757
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
N-(1-bromobutan-2-yl)-4-hydroxybenzamide
CID 114307598
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid?
The IUPAC name of 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid (CID 67056300) is 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid?
The canonical SMILES for 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid is CCN(CC)C(C(=O)O)C(C)NC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid?
The InChIKey is JXNVARJWDVCZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(5-2)13(15(20)21)10(3)16-14(19)11-6-8-12(18)9-7-11/h6-10,13,18H,4-5H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid?
2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 67056300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).