3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid

C7H10F3NO2 — CID 124643612

IUPAC3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESN[C@@H]1[C@H](CCC(=O)O)[C@H]1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-3(6(5)11)1-2-4(12)13/h3,5-6H,1-2,11H2,(H,12,13)/t3-,5-,6-/m1/s1
InChIKeyMRUIBHFBXNZNPC-UYFOZJQFSA-N
MW197.16 g/mol
LogP0.99
Rot. Bonds3

About 3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid

3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid (PubChem CID 124643612) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid.

Molecular Properties

Compound Name3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid
PubChem CID124643612
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESN[C@@H]1[C@H](CCC(=O)O)[C@H]1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-3(6(5)11)1-2-4(12)13/h3,5-6H,1-2,11H2,(H,12,13)/t3-,5-,6-/m1/s1
InChIKeyMRUIBHFBXNZNPC-UYFOZJQFSA-N
XLogP0.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2S,3S)-2-amino-3-(trifluoromethyl)cyclopropyl]acetic acid
CID 50989533
4-[2-amino-3-(trifluoromethyl)cyclopropyl]-2-methylbutanamide
CID 162584021
3-[(2R,5R)-5-(trifluoromethyl)pyrrolidin-2-yl]propanoic acid
CID 125424409
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-(3-aminocyclobutyl)propanoic acid
CID 136574712
3-(4-amino-1-methylpyrrolidin-3-yl)propanoic acid
CID 105435135
2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 75596236
bis(butanedioic acid);hydroxylamine
CID 174855273
5,5,5-trifluoro-4-oxopentanoic acid
CID 20543330
8-(2-carboxyethyl)bicyclo[3.2.1]octane-3-carboxylic acid
CID 115035570
2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 70169674
(4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid
CID 87215084

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid?
The IUPAC name of 3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid (CID 124643612) is 3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid.
What is the SMILES notation for 3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid?
The canonical SMILES for 3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid is N[C@@H]1[C@H](CCC(=O)O)[C@H]1C(F)(F)F.
What is the InChIKey of 3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid?
The InChIKey is MRUIBHFBXNZNPC-UYFOZJQFSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5-3(6(5)11)1-2-4(12)13/h3,5-6H,1-2,11H2,(H,12,13)/t3-,5-,6-/m1/s1.
What are the key properties of 3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid?
3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid has a molecular weight of 197.16 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclopropyl]propanoic acid is sourced from PubChem (CID 124643612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).