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

C15H19NO3 — CID 60844855

IUPAC3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid
SMILESCc1cccc(C(=O)N(CCC(=O)O)C2CC2)c1C
InChIInChI=1S/C15H19NO3/c1-10-4-3-5-13(11(10)2)15(19)16(12-6-7-12)9-8-14(17)18/h3-5,12H,6-9H2,1-2H3,(H,17,18)
InChIKeyRKMDAVWCEMUBFN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.38
Rot. Bonds5

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

3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid (PubChem CID 60844855) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid
PubChem CID60844855
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid
SMILESCc1cccc(C(=O)N(CCC(=O)O)C2CC2)c1C
InChIInChI=1S/C15H19NO3/c1-10-4-3-5-13(11(10)2)15(19)16(12-6-7-12)9-8-14(17)18/h3-5,12H,6-9H2,1-2H3,(H,17,18)
InChIKeyRKMDAVWCEMUBFN-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 76911641
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 54997264
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
3-[tert-butyl-(2,3-dimethylbenzoyl)amino]propanoic acid
CID 60826033
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 82880452
3-[(4-bromo-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 60845609
3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid
CID 54926450
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
3-[cyclopropyl-(4-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 107674734
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 54926497
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide
CID 107983677

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid (CID 60844855) is 3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid is Cc1cccc(C(=O)N(CCC(=O)O)C2CC2)c1C.
What is the InChIKey of 3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid?
The InChIKey is RKMDAVWCEMUBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-4-3-5-13(11(10)2)15(19)16(12-6-7-12)9-8-14(17)18/h3-5,12H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid?
3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 60844855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).