(4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid

C5H9NO3 — CID 129315035

IUPAC(4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid
SMILESC[C@@H]1OCN[C@H]1C(=O)O
InChIInChI=1S/C5H9NO3/c1-3-4(5(7)8)6-2-9-3/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1
InChIKeyKHCGJPWJQOLHMK-IUYQGCFVSA-N
MW131.13 g/mol
LogP-0.59
Rot. Bonds1

About (4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid

(4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 129315035) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID129315035
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid
SMILESC[C@@H]1OCN[C@H]1C(=O)O
InChIInChI=1S/C5H9NO3/c1-3-4(5(7)8)6-2-9-3/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1
InChIKeyKHCGJPWJQOLHMK-IUYQGCFVSA-N
XLogP-0.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22326246
(4S,5R)-5-methyl-N-(4-nitrophenyl)-1,3-oxazolidine-4-carboxamide
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(2R,3R)-piperazine-2,3-dicarboxylic acid
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(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426
ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
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(4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 10290857
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912
(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid
CID 15643990
(2S,3S,4R,5R)-3,5-dihydroxy-4-methylpiperidine-2-carboxylic acid
CID 163596404
methyl 2-methylmorpholine-3-carboxylate;hydrochloride
CID 138113042

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid (CID 129315035) is (4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid is C[C@@H]1OCN[C@H]1C(=O)O.
What is the InChIKey of (4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is KHCGJPWJQOLHMK-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3-4(5(7)8)6-2-9-3/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1.
What are the key properties of (4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid?
(4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 131.13 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-methyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 129315035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).