2-[3-(diethylcarbamoyl)anilino]propanoic acid

C14H20N2O3 — CID 66174088

IUPAC2-[3-(diethylcarbamoyl)anilino]propanoic acid
SMILESCCN(CC)C(=O)c1cccc(NC(C)C(=O)O)c1
InChIInChI=1S/C14H20N2O3/c1-4-16(5-2)13(17)11-7-6-8-12(9-11)15-10(3)14(18)19/h6-10,15H,4-5H2,1-3H3,(H,18,19)
InChIKeyNMAMWKGUSLTYBH-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.05
Rot. Bonds6

About 2-[3-(diethylcarbamoyl)anilino]propanoic acid

2-[3-(diethylcarbamoyl)anilino]propanoic acid (PubChem CID 66174088) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[3-(diethylcarbamoyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[3-(diethylcarbamoyl)anilino]propanoic acid
PubChem CID66174088
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name2-[3-(diethylcarbamoyl)anilino]propanoic acid
SMILESCCN(CC)C(=O)c1cccc(NC(C)C(=O)O)c1
InChIInChI=1S/C14H20N2O3/c1-4-16(5-2)13(17)11-7-6-8-12(9-11)15-10(3)14(18)19/h6-10,15H,4-5H2,1-3H3,(H,18,19)
InChIKeyNMAMWKGUSLTYBH-UHFFFAOYSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide
CID 43107017
(2S)-2-(3-acetylanilino)propanoic acid
CID 121364926
2-(3-ethoxycarbonylanilino)propanoic acid
CID 66172089
2-(3-benzoylanilino)propanoic acid;hydrate
CID 23341865
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 43517392
2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913546
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N,N-diethyl-3-[(2-hydroxy-2-phenylacetyl)amino]benzamide
CID 111432146
(2R)-2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119369801
3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
CID 168637498
2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119348612

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylcarbamoyl)anilino]propanoic acid?
The IUPAC name of 2-[3-(diethylcarbamoyl)anilino]propanoic acid (CID 66174088) is 2-[3-(diethylcarbamoyl)anilino]propanoic acid.
What is the SMILES notation for 2-[3-(diethylcarbamoyl)anilino]propanoic acid?
The canonical SMILES for 2-[3-(diethylcarbamoyl)anilino]propanoic acid is CCN(CC)C(=O)c1cccc(NC(C)C(=O)O)c1.
What is the InChIKey of 2-[3-(diethylcarbamoyl)anilino]propanoic acid?
The InChIKey is NMAMWKGUSLTYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-16(5-2)13(17)11-7-6-8-12(9-11)15-10(3)14(18)19/h6-10,15H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 2-[3-(diethylcarbamoyl)anilino]propanoic acid?
2-[3-(diethylcarbamoyl)anilino]propanoic acid has a molecular weight of 264.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylcarbamoyl)anilino]propanoic acid is sourced from PubChem (CID 66174088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).