2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid

C17H24N2O4 — CID 119348612

IUPAC2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C17H24N2O4/c1-4-9-19(10-5-2)16(21)14-8-6-7-13(11-14)15(20)18-12(3)17(22)23/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,18,20)(H,22,23)
InChIKeyIVODKBNVFUWEPJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.15
Rot. Bonds8

About 2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid

2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid (PubChem CID 119348612) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
PubChem CID119348612
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C17H24N2O4/c1-4-9-19(10-5-2)16(21)14-8-6-7-13(11-14)15(20)18-12(3)17(22)23/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,18,20)(H,22,23)
InChIKeyIVODKBNVFUWEPJ-UHFFFAOYSA-N
XLogP2.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119369801
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119614508
1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056611
1-N-[(2S,3R)-3-hydroxy-4-[[(1R)-1-hydroxyethyl]amino]-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 10226207
(2R)-2-[(3-hydroxybenzoyl)amino]propanoic acid
CID 20848017
1-N-(3,5-dimethylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056605
1-N-[(2R)-5-anilino-4-methyl-5-oxo-1-phenylpentan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 173156519
2-[3-(diethylcarbamoyl)anilino]propanoic acid
CID 66174088
1-N-[(2R)-4-methyl-5-(3-methylbutylamino)-5-oxo-1-phenylpentan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 173156515
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617
1-N-[4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;vanadium
CID 159840111

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid (CID 119348612) is 2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid is CCCN(CCC)C(=O)c1cccc(C(=O)NC(C)C(=O)O)c1.
What is the InChIKey of 2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid?
The InChIKey is IVODKBNVFUWEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-9-19(10-5-2)16(21)14-8-6-7-13(11-14)15(20)18-12(3)17(22)23/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,18,20)(H,22,23).
What are the key properties of 2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid?
2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119348612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).