2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid

C14H18F2N2O3 — CID 63792612

IUPAC2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCc1cc(F)ccc1F)C(=O)O
InChIInChI=1S/C14H18F2N2O3/c1-3-6-14(2,12(19)20)18-13(21)17-8-9-7-10(15)4-5-11(9)16/h4-5,7H,3,6,8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyFHDFKYVIMBBODP-UHFFFAOYSA-N
MW300.30 g/mol
LogP2.41
Rot. Bonds6

About 2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid

2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid (PubChem CID 63792612) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.30 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid
PubChem CID63792612
Molecular FormulaC14H18F2N2O3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC Name2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCc1cc(F)ccc1F)C(=O)O
InChIInChI=1S/C14H18F2N2O3/c1-3-6-14(2,12(19)20)18-13(21)17-8-9-7-10(15)4-5-11(9)16/h4-5,7H,3,6,8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyFHDFKYVIMBBODP-UHFFFAOYSA-N
XLogP2.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 102615305
2-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 62533110
2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 43619154
2-[(2,5-difluorophenyl)methyl]-2-methylpentanoic acid
CID 62740066
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 115298445
2-[(4-bromophenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 61196456
2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
CID 61205187
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 62812916
2-cyano-N-[(2,5-difluorophenyl)methyl]-2-propylpentanamide
CID 63793595
2-[(4-fluorophenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 16788213
2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid
CID 65055742

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid (CID 63792612) is 2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)NCc1cc(F)ccc1F)C(=O)O.
What is the InChIKey of 2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid?
The InChIKey is FHDFKYVIMBBODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-3-6-14(2,12(19)20)18-13(21)17-8-9-7-10(15)4-5-11(9)16/h4-5,7H,3,6,8H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid?
2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid has a molecular weight of 300.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 63792612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).