(4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid

C6H9NO5 — CID 24804859

IUPAC(4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)CC1N[C@H](C(=O)O)CO1
InChIInChI=1S/C6H9NO5/c8-5(9)1-4-7-3(2-12-4)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4?/m0/s1
InChIKeyVORBJAHIFSKLDV-WUCPZUCCSA-N
MW175.14 g/mol
LogP-1.14
Rot. Bonds3

About (4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid

(4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid (PubChem CID 24804859) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is (4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid
PubChem CID24804859
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name(4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)CC1N[C@H](C(=O)O)CO1
InChIInChI=1S/C6H9NO5/c8-5(9)1-4-7-3(2-12-4)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4?/m0/s1
InChIKeyVORBJAHIFSKLDV-WUCPZUCCSA-N
XLogP-1.14
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 13052097
2-Oxo-1,3-oxazolidine-4-carboxylic acid
CID 13052096
(4R)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 13052098
(4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid
CID 178338096
(S)-oxazolidine-4-carboxylic acid
CID 1502015
1,3-oxazolidine-4-carboxylic Acid
CID 4055113
2,2-Dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 18351415
Oxazolidiniumylacetat
CID 129890532
(2S,4S)-2-(Trifluoromethyl)oxazolidine-4-carboxylic acid
CID 46844707
(2R,4S)-2-(Trifluoromethyl)oxazolidine-4-carboxylic acid
CID 46844834
2-(Trifluoromethyl)-1,3-oxazolidine-4-carboxylic acid
CID 75219106
(4R)-1,3-oxazolidine-4-carboxylic acid
CID 1502016

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid (CID 24804859) is (4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid is O=C(O)CC1N[C@H](C(=O)O)CO1.
What is the InChIKey of (4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is VORBJAHIFSKLDV-WUCPZUCCSA-N. The full InChI is InChI=1S/C6H9NO5/c8-5(9)1-4-7-3(2-12-4)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4?/m0/s1.
What are the key properties of (4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid?
(4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 175.14 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 24804859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).