2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid

C13H17ClN2O3 — CID 66251389

IUPAC2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCc1cccc(Cl)c1NC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C13H17ClN2O3/c1-8(2)16(7-11(17)18)13(19)15-12-9(3)5-4-6-10(12)14/h4-6,8H,7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyIYDHCVWWUUDWTN-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.98
Rot. Bonds4

About 2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid

2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid (PubChem CID 66251389) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
PubChem CID66251389
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCc1cccc(Cl)c1NC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C13H17ClN2O3/c1-8(2)16(7-11(17)18)13(19)15-12-9(3)5-4-6-10(12)14/h4-6,8H,7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyIYDHCVWWUUDWTN-UHFFFAOYSA-N
XLogP2.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61194418
N-(2-chloro-6-methylphenyl)-2-[di(propan-2-yl)amino]acetamide;hydrochloride
CID 138402190
2-[(2-chloro-6-methylphenyl)carbamoyl-methylamino]butanoic acid
CID 66253516
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
2-[(3-bromo-2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107627218
(2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757028
2-[(2,6-dibromo-4-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61185909
1-[(1-benzylpyrrol-2-yl)methyl]-3-(2,6-dichlorophenyl)-1-propan-2-ylurea
CID 4299345
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride
CID 138396786
3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea
CID 4674154
3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea
CID 4986373
N-benzyl-2-[(2,6-dichlorophenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 1060124

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid (CID 66251389) is 2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid is Cc1cccc(Cl)c1NC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is IYDHCVWWUUDWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8(2)16(7-11(17)18)13(19)15-12-9(3)5-4-6-10(12)14/h4-6,8H,7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid?
2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 284.74 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 66251389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).