3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid

C13H13Cl2NO3 — CID 81362646

IUPAC3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C13H13Cl2NO3/c14-9-3-1-2-8(12(9)15)13(19)16-10(6-11(17)18)7-4-5-7/h1-3,7,10H,4-6H2,(H,16,19)(H,17,18)
InChIKeyPHAALZKYNFBOTD-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.98
Rot. Bonds5

About 3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid

3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid (PubChem CID 81362646) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid
PubChem CID81362646
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C13H13Cl2NO3/c14-9-3-1-2-8(12(9)15)13(19)16-10(6-11(17)18)7-4-5-7/h1-3,7,10H,4-6H2,(H,16,19)(H,17,18)
InChIKeyPHAALZKYNFBOTD-UHFFFAOYSA-N
XLogP2.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343445
3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 81362129
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-cyclopropylpropanoic acid
CID 81362558
3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104548206
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
3-cyclopropyl-3-[(2,4-difluorobenzoyl)amino]propanoic acid
CID 81362386
N-(2-amino-1-cyclopropylethyl)-3-chloro-2-nitrobenzamide
CID 119614636
3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 114038732
2-[(2,3-dichlorobenzoyl)amino]-4-oxohexanoic acid
CID 146153202
N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide
CID 106737470

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid (CID 81362646) is 3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid is O=C(O)CC(NC(=O)c1cccc(Cl)c1Cl)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid?
The InChIKey is PHAALZKYNFBOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-9-3-1-2-8(12(9)15)13(19)16-10(6-11(17)18)7-4-5-7/h1-3,7,10H,4-6H2,(H,16,19)(H,17,18).
What are the key properties of 3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid?
3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid has a molecular weight of 302.16 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 81362646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).