(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid

C6H10F2N2O3 — CID 115408123

IUPAC(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid
SMILESC[C@H](NC(=O)NCC(F)F)C(=O)O
InChIInChI=1S/C6H10F2N2O3/c1-3(5(11)12)10-6(13)9-2-4(7)8/h3-4H,2H2,1H3,(H,11,12)(H2,9,10,13)/t3-/m0/s1
InChIKeyWFCXIIBKJJZFHY-VKHMYHEASA-N
MW196.15 g/mol
LogP0.02
Rot. Bonds4

About (2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid

(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid (PubChem CID 115408123) has the molecular formula C6H10F2N2O3 and a molecular weight of 196.15 g/mol. Its IUPAC name is (2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid
PubChem CID115408123
Molecular FormulaC6H10F2N2O3
Molecular Weight196.15 g/mol
Exact Mass196.07
IUPAC Name(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid
SMILESC[C@H](NC(=O)NCC(F)F)C(=O)O
InChIInChI=1S/C6H10F2N2O3/c1-3(5(11)12)10-6(13)9-2-4(7)8/h3-4H,2H2,1H3,(H,11,12)(H2,9,10,13)/t3-/m0/s1
InChIKeyWFCXIIBKJJZFHY-VKHMYHEASA-N
XLogP0.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic 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

1-(2,2-difluoroethyl)-3-propan-2-ylurea
CID 87414397
2-(2,2-difluoroethylcarbamoylamino)-3-methylbutanoic acid
CID 115408104
(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907124
(2S,3R)-2-(2,2-difluoroethylcarbamoylamino)-3-hydroxybutanoic acid
CID 104966469
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 78979081
(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid
CID 2005904
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500
(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
CID 61403135
(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
CID 78971835
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 16785652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid?
The IUPAC name of (2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid (CID 115408123) is (2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid is C[C@H](NC(=O)NCC(F)F)C(=O)O.
What is the InChIKey of (2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid?
The InChIKey is WFCXIIBKJJZFHY-VKHMYHEASA-N. The full InChI is InChI=1S/C6H10F2N2O3/c1-3(5(11)12)10-6(13)9-2-4(7)8/h3-4H,2H2,1H3,(H,11,12)(H2,9,10,13)/t3-/m0/s1.
What are the key properties of (2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid?
(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid has a molecular weight of 196.15 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 115408123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).