(2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid

C6H9F2NO5 — CID 88948306

IUPAC(2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid
SMILESCOC(=O)N[C@H](COC(F)F)C(=O)O
InChIInChI=1S/C6H9F2NO5/c1-13-6(12)9-3(4(10)11)2-14-5(7)8/h3,5H,2H2,1H3,(H,9,12)(H,10,11)/t3-/m1/s1
InChIKeyRZCYVRANOUAIJX-GSVOUGTGSA-N
MW213.14 g/mol
LogP0.03
Rot. Bonds5

About (2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid

(2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid (PubChem CID 88948306) has the molecular formula C6H9F2NO5 and a molecular weight of 213.14 g/mol. Its IUPAC name is (2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid
PubChem CID88948306
Molecular FormulaC6H9F2NO5
Molecular Weight213.14 g/mol
Exact Mass213.04
IUPAC Name(2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid
SMILESCOC(=O)N[C@H](COC(F)F)C(=O)O
InChIInChI=1S/C6H9F2NO5/c1-13-6(12)9-3(4(10)11)2-14-5(7)8/h3,5H,2H2,1H3,(H,9,12)(H,10,11)/t3-/m1/s1
InChIKeyRZCYVRANOUAIJX-GSVOUGTGSA-N
XLogP0.03
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetamido-3-ethoxy-3-oxopropanoic acid
CID 3276255
(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid
CID 59540170
(2S)-3-hydroxy-2-(methoxycarbonylamino)propanoic acid
CID 28378112
methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(difluoromethoxy)propanoate
CID 86775505
2-(((Tert-butoxy)carbonyl)amino)-3-(2,2,2-trifluoroethoxy)propanoic acid
CID 106705012
methyl N-trifluoroacetylserinate
CID 14390005
(2R)-2-[(2,2,3,3-tetrafluoro-3-methoxypropanoyl)amino]propanoic acid
CID 162426256
dl-Serine, N-acetyl-, methyl ester
CID 548204
Methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
CID 4330731
N-Acetyl-L-serine methyl ester
CID 7010549
N-acetyl-l-serine ethyl ester
CID 14420232
O,N-diacetylserine
CID 15351235

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid?
The IUPAC name of (2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid (CID 88948306) is (2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid is COC(=O)N[C@H](COC(F)F)C(=O)O.
What is the InChIKey of (2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid?
The InChIKey is RZCYVRANOUAIJX-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H9F2NO5/c1-13-6(12)9-3(4(10)11)2-14-5(7)8/h3,5H,2H2,1H3,(H,9,12)(H,10,11)/t3-/m1/s1.
What are the key properties of (2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid?
(2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid has a molecular weight of 213.14 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(difluoromethoxy)-2-(methoxycarbonylamino)propanoic acid is sourced from PubChem (CID 88948306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).