(2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid

C7H11F2NO5 — CID 59610263

IUPAC(2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid
SMILESCOC(=O)N[C@@H](CCOC(F)F)C(=O)O
InChIInChI=1S/C7H11F2NO5/c1-14-7(13)10-4(5(11)12)2-3-15-6(8)9/h4,6H,2-3H2,1H3,(H,10,13)(H,11,12)/t4-/m0/s1
InChIKeyGCGRBNFXBODMPD-BYPYZUCNSA-N
MW227.16 g/mol
LogP0.42
Rot. Bonds6

About (2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid

(2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid (PubChem CID 59610263) has the molecular formula C7H11F2NO5 and a molecular weight of 227.16 g/mol. Its IUPAC name is (2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid
PubChem CID59610263
Molecular FormulaC7H11F2NO5
Molecular Weight227.16 g/mol
Exact Mass227.06
IUPAC Name(2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid
SMILESCOC(=O)N[C@@H](CCOC(F)F)C(=O)O
InChIInChI=1S/C7H11F2NO5/c1-14-7(13)10-4(5(11)12)2-3-15-6(8)9/h4,6H,2-3H2,1H3,(H,10,13)(H,11,12)/t4-/m0/s1
InChIKeyGCGRBNFXBODMPD-BYPYZUCNSA-N
XLogP0.42
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic 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 (2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid?
The IUPAC name of (2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid (CID 59610263) is (2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid.
What is the SMILES notation for (2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid?
The canonical SMILES for (2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid is COC(=O)N[C@@H](CCOC(F)F)C(=O)O.
What is the InChIKey of (2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid?
The InChIKey is GCGRBNFXBODMPD-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H11F2NO5/c1-14-7(13)10-4(5(11)12)2-3-15-6(8)9/h4,6H,2-3H2,1H3,(H,10,13)(H,11,12)/t4-/m0/s1.
What are the key properties of (2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid?
(2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid has a molecular weight of 227.16 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(difluoromethoxy)-2-(methoxycarbonylamino)butanoic acid is sourced from PubChem (CID 59610263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).