(2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid

C5H9NO3 — CID 70267078

IUPAC(2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid
SMILESCC1CN[C@H](C(=O)O)O1
InChIInChI=1S/C5H9NO3/c1-3-2-6-4(9-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3?,4-/m0/s1
InChIKeyGKDJVULOGIEAQG-BKLSDQPFSA-N
MW131.13 g/mol
LogP-0.59
Rot. Bonds1

About (2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid

(2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid (PubChem CID 70267078) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid
PubChem CID70267078
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid
SMILESCC1CN[C@H](C(=O)O)O1
InChIInChI=1S/C5H9NO3/c1-3-2-6-4(9-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3?,4-/m0/s1
InChIKeyGKDJVULOGIEAQG-BKLSDQPFSA-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

Oxazolidine-2-carboxylic acid
CID 13419880
Oxycarbonyl-5-oxazolidinone
CID 19965520
Oxaproline
CID 54004467
2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid
CID 138731935
Methyl 2-methyloxazolidine-2-carboxylate
CID 45086649
2-(Pyrrolidin-3-yloxy)acetic acid
CID 53744110
(2R,5S)-5-methyl-1,3-oxazolidine-2-carboxylic acid
CID 53842554
Methyl 1,3-oxazolidine-2-carboxylate
CID 53999762
2-(Pyrrolidin-3-yloxy)acetic acid hydrochloride
CID 67232342
Tert-butyl 4-carboxyoxy-1,3-oxazolidine-2-carboxylate
CID 67729844
Tert-butyl 1,3-oxazolidine-2-carboxylate
CID 68811203
(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid?
The IUPAC name of (2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid (CID 70267078) is (2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid?
The canonical SMILES for (2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid is CC1CN[C@H](C(=O)O)O1.
What is the InChIKey of (2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid?
The InChIKey is GKDJVULOGIEAQG-BKLSDQPFSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3-2-6-4(9-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3?,4-/m0/s1.
What are the key properties of (2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid?
(2S)-5-methyl-1,3-oxazolidine-2-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 (2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid is sourced from PubChem (CID 70267078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).