(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid

C14H16F6N2O8 — CID 160770564

IUPAC(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESN[C@H](C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1C(F)(F)F.N[C@H](C(=O)O)[C@H]1[C@H](C(=O)O)[C@H]1C(F)(F)F
InChIInChI=1S/2C7H8F3NO4/c2*8-7(9,10)3-1(2(3)5(12)13)4(11)6(14)15/h2*1-4H,11H2,(H,12,13)(H,14,15)/t1-,2-,3-,4+;1-,2-,3-,4-/m10/s1
InChIKeyRZGJCDLWYPFXMK-BDHJGYDTSA-N
MW454.28 g/mol
LogP-0.19
Rot. Bonds6

About (1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid

(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 160770564) has the molecular formula C14H16F6N2O8 and a molecular weight of 454.28 g/mol. Its IUPAC name is (1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID160770564
Molecular FormulaC14H16F6N2O8
Molecular Weight454.28 g/mol
Exact Mass454.08
IUPAC Name(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESN[C@H](C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1C(F)(F)F.N[C@H](C(=O)O)[C@H]1[C@H](C(=O)O)[C@H]1C(F)(F)F
InChIInChI=1S/2C7H8F3NO4/c2*8-7(9,10)3-1(2(3)5(12)13)4(11)6(14)15/h2*1-4H,11H2,(H,12,13)(H,14,15)/t1-,2-,3-,4+;1-,2-,3-,4-/m10/s1
InChIKeyRZGJCDLWYPFXMK-BDHJGYDTSA-N
XLogP-0.19
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
CID 5310979
(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid
CID 59925065
(1R,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 58719615
2-[(S)-amino(carboxy)methyl]-3-cyanocyclopropane-1-carboxylic acid
CID 70013860
(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid
CID 15382774
2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 70169674
(1R,2R,3R)-2-[(R)-amino(carboxy)methyl]-3-phenylcyclopropane-1-carboxylic acid
CID 10681240
(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-prop-2-enylcyclopropane-1-carboxylic acid
CID 70003963
2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 75596236
(1R,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(cyclohexylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 58719622
(1S,2S,3R,4R)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 99962491
(1R,2S,3S,4R)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98115616

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of (1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid (CID 160770564) is (1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid is N[C@H](C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1C(F)(F)F.N[C@H](C(=O)O)[C@H]1[C@H](C(=O)O)[C@H]1C(F)(F)F.
What is the InChIKey of (1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is RZGJCDLWYPFXMK-BDHJGYDTSA-N. The full InChI is InChI=1S/2C7H8F3NO4/c2*8-7(9,10)3-1(2(3)5(12)13)4(11)6(14)15/h2*1-4H,11H2,(H,12,13)(H,14,15)/t1-,2-,3-,4+;1-,2-,3-,4-/m10/s1.
What are the key properties of (1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 454.28 g/mol, XLogP of -0.19, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 160770564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).