(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid

C15H17F2NO3 — CID 119369587

IUPAC(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)C1CC1c1cc(F)ccc1F)C(=O)O
InChIInChI=1S/C15H17F2NO3/c1-7(2)13(15(20)21)18-14(19)11-6-9(11)10-5-8(16)3-4-12(10)17/h3-5,7,9,11,13H,6H2,1-2H3,(H,18,19)(H,20,21)/t9?,11?,13-/m1/s1
InChIKeyMNQCMRKBGKBPNG-QEIKUCIBSA-N
MW297.30 g/mol
LogP2.29
Rot. Bonds5

About (2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid

(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid (PubChem CID 119369587) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is (2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
PubChem CID119369587
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)C1CC1c1cc(F)ccc1F)C(=O)O
InChIInChI=1S/C15H17F2NO3/c1-7(2)13(15(20)21)18-14(19)11-6-9(11)10-5-8(16)3-4-12(10)17/h3-5,7,9,11,13H,6H2,1-2H3,(H,18,19)(H,20,21)/t9?,11?,13-/m1/s1
InChIKeyMNQCMRKBGKBPNG-QEIKUCIBSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119360646
3-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119177424
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684
trans-(1R,2R)-N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 146460844
3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119219050
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570
2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 126784599
(2S)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 119360146
2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide
CID 111478117
2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide
CID 111697735

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid (CID 119369587) is (2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)C1CC1c1cc(F)ccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid?
The InChIKey is MNQCMRKBGKBPNG-QEIKUCIBSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-7(2)13(15(20)21)18-14(19)11-6-9(11)10-5-8(16)3-4-12(10)17/h3-5,7,9,11,13H,6H2,1-2H3,(H,18,19)(H,20,21)/t9?,11?,13-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid?
(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid has a molecular weight of 297.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 119369587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).