cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid

C6H7F2NO4 — CID 10375402

IUPACcis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid
SMILESN[C@H](C(=O)O)[C@H]1[C@@H](C(=O)O)C1(F)F
InChIInChI=1S/C6H7F2NO4/c7-6(8)1(2(6)4(10)11)3(9)5(12)13/h1-3H,9H2,(H,10,11)(H,12,13)/t1-,2+,3+/m1/s1
InChIKeyWAAOLVVQWSHZNT-LAMMAJBHSA-N
MW195.12 g/mol
LogP-0.64
Rot. Bonds3

About cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid

cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid (PubChem CID 10375402) has the molecular formula C6H7F2NO4 and a molecular weight of 195.12 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid
PubChem CID10375402
Molecular FormulaC6H7F2NO4
Molecular Weight195.12 g/mol
Exact Mass195.03
IUPAC Namecis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid
SMILESN[C@H](C(=O)O)[C@H]1[C@@H](C(=O)O)C1(F)F
InChIInChI=1S/C6H7F2NO4/c7-6(8)1(2(6)4(10)11)3(9)5(12)13/h1-3H,9H2,(H,10,11)(H,12,13)/t1-,2+,3+/m1/s1
InChIKeyWAAOLVVQWSHZNT-LAMMAJBHSA-N
XLogP-0.64
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid (CID 10375402) is cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid is N[C@H](C(=O)O)[C@H]1[C@@H](C(=O)O)C1(F)F.
What is the InChIKey of cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid?
The InChIKey is WAAOLVVQWSHZNT-LAMMAJBHSA-N. The full InChI is InChI=1S/C6H7F2NO4/c7-6(8)1(2(6)4(10)11)3(9)5(12)13/h1-3H,9H2,(H,10,11)(H,12,13)/t1-,2+,3+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid?
cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid has a molecular weight of 195.12 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(S)-amino(carboxy)methyl]-2,2-difluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 10375402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).