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

C14H20N2O4 — CID 70375568

IUPAC2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid
SMILESCCN(CC)C(CNC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-16(4-2)12(14(19)20)9-15-13(18)10-5-7-11(17)8-6-10/h5-8,12,17H,3-4,9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyFIHWEYQFXBCWCC-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.92
Rot. Bonds7

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

2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid (PubChem CID 70375568) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid
PubChem CID70375568
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid
SMILESCCN(CC)C(CNC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-16(4-2)12(14(19)20)9-15-13(18)10-5-7-11(17)8-6-10/h5-8,12,17H,3-4,9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyFIHWEYQFXBCWCC-UHFFFAOYSA-N
XLogP0.92
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(diethylamino)-3-[[4-(2-methoxyethoxymethoxy)benzoyl]amino]propanoic acid
CID 70375561
2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]butanoic acid
CID 67056300
3-[[(4-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 81067009
ethane;N-ethyl-4-hydroxybenzamide
CID 144926309
4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 80539044
N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
CID 114317617
N-(4-amino-2-methylbutyl)-4-hydroxybenzamide
CID 66089978
N-[2-[[2-[ethyl(methyl)amino]-2-phenylacetyl]amino]ethyl]-4-hydroxybenzamide
CID 167924551
N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
CID 43067489
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
2-[[[4-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217567
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid?
The IUPAC name of 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid (CID 70375568) is 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid?
The canonical SMILES for 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid is CCN(CC)C(CNC(=O)c1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid?
The InChIKey is FIHWEYQFXBCWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-16(4-2)12(14(19)20)9-15-13(18)10-5-7-11(17)8-6-10/h5-8,12,17H,3-4,9H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid?
2-(diethylamino)-3-[(4-hydroxybenzoyl)amino]propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.92, 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]propanoic acid is sourced from PubChem (CID 70375568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).