(2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid

C8H15NO5 — CID 137350009

IUPAC(2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid
SMILESC[C@H]1O[C@@H](COCCO)N[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO5/c1-5-7(8(11)12)9-6(14-5)4-13-3-2-10/h5-7,9-10H,2-4H2,1H3,(H,11,12)/t5-,6+,7+/m1/s1
InChIKeyWUKGKFDQSAOVTH-VQVTYTSYSA-N
MW205.21 g/mol
LogP-1.22
Rot. Bonds5

About (2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid

(2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 137350009) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID137350009
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name(2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid
SMILESC[C@H]1O[C@@H](COCCO)N[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO5/c1-5-7(8(11)12)9-6(14-5)4-13-3-2-10/h5-7,9-10H,2-4H2,1H3,(H,11,12)/t5-,6+,7+/m1/s1
InChIKeyWUKGKFDQSAOVTH-VQVTYTSYSA-N
XLogP-1.22
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4s,5r]-5-Methyl-oxazolidine-4-carboxylic acid
CID 53994447
(R*,S*)-4-(1-Hydroxyethyl)oxazolidine-2,5-dione
CID 86083
(4s,5s)-5-Methyloxazolidine-4-carboxylic acid
CID 53994448
(4R)-4-[(1S)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione
CID 57370455
5-Methyl-1,3-oxazolidine-4-carboxylic acid
CID 21701159
methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate
CID 54525621
(4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione
CID 55286274
[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 57558169
5,5-Dimethyl-1,3-oxazolidine-2,4-dicarboxylic acid
CID 60084276
2,2,5-Trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 66972263
(4S,5R)-2,2,5-Trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 90330200
(2R,4S)-2-chloro-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-5-one
CID 90463771

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid (CID 137350009) is (2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid is C[C@H]1O[C@@H](COCCO)N[C@@H]1C(=O)O.
What is the InChIKey of (2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is WUKGKFDQSAOVTH-VQVTYTSYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-5-7(8(11)12)9-6(14-5)4-13-3-2-10/h5-7,9-10H,2-4H2,1H3,(H,11,12)/t5-,6+,7+/m1/s1.
What are the key properties of (2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid?
(2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of -1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-2-(2-hydroxyethoxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 137350009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).