(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid

C14H14F3NO3 — CID 99849440

IUPAC(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C14H14F3NO3/c1-7(13(20)21)18-12(19)10-6-9(10)8-4-2-3-5-11(8)14(15,16)17/h2-5,7,9-10H,6H2,1H3,(H,18,19)(H,20,21)/t7-,9-,10-/m0/s1
InChIKeyRNJZSPFHQIIFTH-HGNGGELXSA-N
MW301.26 g/mol
LogP2.40
Rot. Bonds4

About (2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid

(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 99849440) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is (2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
PubChem CID99849440
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C14H14F3NO3/c1-7(13(20)21)18-12(19)10-6-9(10)8-4-2-3-5-11(8)14(15,16)17/h2-5,7,9-10H,6H2,1H3,(H,18,19)(H,20,21)/t7-,9-,10-/m0/s1
InChIKeyRNJZSPFHQIIFTH-HGNGGELXSA-N
XLogP2.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid with MolForge

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Related Compounds

2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225504
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225300
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
(2S)-2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238212
2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225395
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806379
cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 124859937
(2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238549
trans-(1R,2R)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 124736631
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid (CID 99849440) is (2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid is C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is RNJZSPFHQIIFTH-HGNGGELXSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-7(13(20)21)18-12(19)10-6-9(10)8-4-2-3-5-11(8)14(15,16)17/h2-5,7,9-10H,6H2,1H3,(H,18,19)(H,20,21)/t7-,9-,10-/m0/s1.
What are the key properties of (2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid?
(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 301.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 99849440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).