2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid

C14H17ClN2O3 — CID 61181557

IUPAC2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid
SMILESCc1c(Cl)cccc1NC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H17ClN2O3/c1-8-10(15)4-3-5-11(8)16-13(20)17-14(2,12(18)19)9-6-7-9/h3-5,9H,6-7H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyQHHGQHVPBJSEKS-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.02
Rot. Bonds4

About 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid

2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid (PubChem CID 61181557) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid
PubChem CID61181557
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid
SMILESCc1c(Cl)cccc1NC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H17ClN2O3/c1-8-10(15)4-3-5-11(8)16-13(20)17-14(2,12(18)19)9-6-7-9/h3-5,9H,6-7H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyQHHGQHVPBJSEKS-UHFFFAOYSA-N
XLogP3.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid
CID 61184318
2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 106760398
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid
CID 61186056
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62709327
2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid
CID 103586744
2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 115378476
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 115758945
1-tert-butyl-3-[3-(tert-butylcarbamoylamino)-2-methylphenyl]urea
CID 58918478
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391
N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide
CID 108951471

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid (CID 61181557) is 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid is Cc1c(Cl)cccc1NC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid?
The InChIKey is QHHGQHVPBJSEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-8-10(15)4-3-5-11(8)16-13(20)17-14(2,12(18)19)9-6-7-9/h3-5,9H,6-7H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid?
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid has a molecular weight of 296.75 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 61181557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).