2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid

C14H20N2O4 — CID 43241212

IUPAC2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
SMILESCCN(CC)c1ccc(C(=O)NC(CO)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-3-16(4-2)11-7-5-10(6-8-11)13(18)15-12(9-17)14(19)20/h5-8,12,17H,3-4,9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyZTSMHJCCDWSZML-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.71
Rot. Bonds7

About 2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid

2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid (PubChem CID 43241212) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
PubChem CID43241212
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
SMILESCCN(CC)c1ccc(C(=O)NC(CO)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-3-16(4-2)11-7-5-10(6-8-11)13(18)15-12(9-17)14(19)20/h5-8,12,17H,3-4,9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyZTSMHJCCDWSZML-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65312704
4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79031417
(2S)-2-[(4-formylbenzoyl)amino]-3-hydroxypropanoic acid
CID 125484351
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 43352730
(2S)-3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]propanoic acid
CID 61152053
N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 25353531
4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide
CID 139765270
N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 18280098
5-ethoxy-2-[[4-[ethyl(prop-2-ynyl)amino]benzoyl]amino]-5-oxopentanoic acid
CID 118527092
4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846242
2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid
CID 107971162
3-hydroxy-2-[(3,4,5-triethoxybenzoyl)amino]propanoic acid
CID 16773565

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid (CID 43241212) is 2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid is CCN(CC)c1ccc(C(=O)NC(CO)C(=O)O)cc1.
What is the InChIKey of 2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is ZTSMHJCCDWSZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-16(4-2)11-7-5-10(6-8-11)13(18)15-12(9-17)14(19)20/h5-8,12,17H,3-4,9H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid?
2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43241212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).