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

C13H15ClN2O3 — CID 62709327

IUPAC2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid
SMILESCc1c(Cl)cccc1NC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H15ClN2O3/c1-7-9(14)3-2-4-10(7)15-13(19)16-11(12(17)18)8-5-6-8/h2-4,8,11H,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyUORIYYXQMZHGCJ-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.63
Rot. Bonds4

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

2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid (PubChem CID 62709327) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid
PubChem CID62709327
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid
SMILESCc1c(Cl)cccc1NC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H15ClN2O3/c1-7-9(14)3-2-4-10(7)15-13(19)16-11(12(17)18)8-5-6-8/h2-4,8,11H,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyUORIYYXQMZHGCJ-UHFFFAOYSA-N
XLogP2.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 54991184
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 28508515
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61183463
2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 61183462
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
CID 62694940
2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid
CID 106760371
2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085087
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 28509571
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid
CID 61181557
2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
CID 62711201

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid (CID 62709327) is 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid is Cc1c(Cl)cccc1NC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid?
The InChIKey is UORIYYXQMZHGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-7-9(14)3-2-4-10(7)15-13(19)16-11(12(17)18)8-5-6-8/h2-4,8,11H,5-6H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid?
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylacetic acid has a molecular weight of 282.73 g/mol, XLogP of 2.63, 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-cyclopropylacetic acid is sourced from PubChem (CID 62709327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).