3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid

C11H12Cl2N2O3 — CID 61200387

IUPAC3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O3/c1-6(5-9(16)17)14-11(18)15-8-4-2-3-7(12)10(8)13/h2-4,6H,5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyIAIFDKFHPGSNAS-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.98
Rot. Bonds4

About 3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid

3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid (PubChem CID 61200387) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
PubChem CID61200387
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Name3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O3/c1-6(5-9(16)17)14-11(18)15-8-4-2-3-7(12)10(8)13/h2-4,6H,5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyIAIFDKFHPGSNAS-UHFFFAOYSA-N
XLogP2.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 3546923
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
3-amino-4-(2,3-dichloroanilino)-4-oxobutanoic acid
CID 64897220
3-[(2-methylphenyl)carbamoylamino]butanoic acid
CID 61196856
3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
CID 106760433
3-[(5-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 62907932
methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoate
CID 3702816
3-[(5-chloro-2-fluorophenyl)carbamoylamino]butanoic acid
CID 61199394
2-chloro-6-(5-methylhexan-2-ylcarbamoylamino)benzoic acid
CID 63925729
2-chloro-6-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 63723969
2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480081
3-amino-N-(2,3-dichlorophenyl)-2-methylpropanamide
CID 62669970

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid?
The IUPAC name of 3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid (CID 61200387) is 3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid is CC(CC(=O)O)NC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid?
The InChIKey is IAIFDKFHPGSNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-6(5-9(16)17)14-11(18)15-8-4-2-3-7(12)10(8)13/h2-4,6H,5H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid?
3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid has a molecular weight of 291.13 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 61200387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).