2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid

C13H15ClN2O4 — CID 62695830

IUPAC2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid
SMILESCOc1ccc(NC(=O)NC(C(=O)O)C2CC2)cc1Cl
InChIInChI=1S/C13H15ClN2O4/c1-20-10-5-4-8(6-9(10)14)15-13(19)16-11(12(17)18)7-2-3-7/h4-7,11H,2-3H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNJBBJZRKUHHTPP-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.33
Rot. Bonds5

About 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid

2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid (PubChem CID 62695830) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid
PubChem CID62695830
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid
SMILESCOc1ccc(NC(=O)NC(C(=O)O)C2CC2)cc1Cl
InChIInChI=1S/C13H15ClN2O4/c1-20-10-5-4-8(6-9(10)14)15-13(19)16-11(12(17)18)7-2-3-7/h4-7,11H,2-3H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNJBBJZRKUHHTPP-UHFFFAOYSA-N
XLogP2.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
CID 62695460
N-(3-chloro-4-methoxyphenyl)thiane-4-carboxamide
CID 110859512
N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51143820
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid
CID 62709870
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991931
methyl (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylpentanoate
CID 944223
2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid
CID 119037277
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
CID 99841324
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid (CID 62695830) is 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid is COc1ccc(NC(=O)NC(C(=O)O)C2CC2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid?
The InChIKey is NJBBJZRKUHHTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-20-10-5-4-8(6-9(10)14)15-13(19)16-11(12(17)18)7-2-3-7/h4-7,11H,2-3H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid?
2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid has a molecular weight of 298.73 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62695830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).