2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid

C14H18F2N2O3 — CID 82802624

IUPAC2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)Nc1c(F)ccc(C)c1F)C(C)(C)C(=O)O
InChIInChI=1S/C14H18F2N2O3/c1-5-18(14(3,4)12(19)20)13(21)17-11-9(15)7-6-8(2)10(11)16/h6-7H,5H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyYLECYRSWWLFQMR-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.99
Rot. Bonds4

About 2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid

2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid (PubChem CID 82802624) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
PubChem CID82802624
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)Nc1c(F)ccc(C)c1F)C(C)(C)C(=O)O
InChIInChI=1S/C14H18F2N2O3/c1-5-18(14(3,4)12(19)20)13(21)17-11-9(15)7-6-8(2)10(11)16/h6-7H,5H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyYLECYRSWWLFQMR-UHFFFAOYSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-difluoro-3-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 82819422
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
3-(2,6-difluoro-3-methylanilino)-3-oxopropanoic acid
CID 82820377
2-[ethyl-[(4-fluoro-2-methoxyphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822555
2-cyano-N-(2,6-difluoro-3-methylphenyl)-2-methylbutanamide
CID 82818028
2-[(2,6-difluoro-3-methylphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 82819343
2-[(2-cyano-4-fluorophenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 82683480
4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide
CID 82819149
1-tert-butyl-1-ethyl-3-(2,3,4-trifluorophenyl)urea
CID 108892591
2-[(2,6-difluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55123816
2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62818347
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid (CID 82802624) is 2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid is CCN(C(=O)Nc1c(F)ccc(C)c1F)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The InChIKey is YLECYRSWWLFQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-5-18(14(3,4)12(19)20)13(21)17-11-9(15)7-6-8(2)10(11)16/h6-7H,5H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid?
2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid has a molecular weight of 300.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-3-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 82802624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).