(2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid

C17H19F2NO3 — CID 125149189

IUPAC(2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C1CC1)C(=O)O
InChIInChI=1S/C17H19F2NO3/c1-9(17(22)23)8-20(11-3-4-11)16(21)14-7-13(14)12-5-2-10(18)6-15(12)19/h2,5-6,9,11,13-14H,3-4,7-8H2,1H3,(H,22,23)/t9-,13+,14-/m1/s1
InChIKeyOTXDFXGBKZAELA-BIGNPOOSSA-N
MW323.34 g/mol
LogP2.78
Rot. Bonds6

About (2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid

(2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid (PubChem CID 125149189) has the molecular formula C17H19F2NO3 and a molecular weight of 323.34 g/mol. Its IUPAC name is (2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
PubChem CID125149189
Molecular FormulaC17H19F2NO3
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name(2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C1CC1)C(=O)O
InChIInChI=1S/C17H19F2NO3/c1-9(17(22)23)8-20(11-3-4-11)16(21)14-7-13(14)12-5-2-10(18)6-15(12)19/h2,5-6,9,11,13-14H,3-4,7-8H2,1H3,(H,22,23)/t9-,13+,14-/m1/s1
InChIKeyOTXDFXGBKZAELA-BIGNPOOSSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

(2S)-3-[cyclopropyl-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 125149681
3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]-(oxan-4-yl)amino]propanoic acid
CID 124702926
3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid
CID 119207545
3-[cyclopropyl-[2-(2,4-difluorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 120535316
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193256
2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119202970
trans-(1S,2S)-2-(2,4-difluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 95625187
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 91660011
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
(2S)-3-[cyclopropyl-(3-fluoro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 124691127
2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 124703141

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid (CID 125149189) is (2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid is C[C@H](CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C1CC1)C(=O)O.
What is the InChIKey of (2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid?
The InChIKey is OTXDFXGBKZAELA-BIGNPOOSSA-N. The full InChI is InChI=1S/C17H19F2NO3/c1-9(17(22)23)8-20(11-3-4-11)16(21)14-7-13(14)12-5-2-10(18)6-15(12)19/h2,5-6,9,11,13-14H,3-4,7-8H2,1H3,(H,22,23)/t9-,13+,14-/m1/s1.
What are the key properties of (2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid?
(2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid has a molecular weight of 323.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 125149189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).