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

C7H11NO4 — CID 57042631

IUPAC(4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OC[C@@H](C=O)N1C(=O)O
InChIInChI=1S/C7H11NO4/c1-7(2)8(6(10)11)5(3-9)4-12-7/h3,5H,4H2,1-2H3,(H,10,11)/t5-/m1/s1
InChIKeyRZGWHFMRNRMJRF-RXMQYKEDSA-N
MW173.17 g/mol
LogP0.30
Rot. Bonds1

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

(4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 57042631) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID57042631
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OC[C@@H](C=O)N1C(=O)O
InChIInChI=1S/C7H11NO4/c1-7(2)8(6(10)11)5(3-9)4-12-7/h3,5H,4H2,1-2H3,(H,10,11)/t5-/m1/s1
InChIKeyRZGWHFMRNRMJRF-RXMQYKEDSA-N
XLogP0.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 23157098
4-(3-ethoxy-3-oxoprop-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 77218696
butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 139997641
benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11414364
4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 22352321
(4S)-4-(ethylaminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 90450549
4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67191035
2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid
CID 67007353
4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67188865
(4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 18646911
(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 86705178
4-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 19385104

Frequently Asked Questions

What is the IUPAC name of (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 57042631) is (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC1(C)OC[C@@H](C=O)N1C(=O)O.
What is the InChIKey of (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is RZGWHFMRNRMJRF-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11NO4/c1-7(2)8(6(10)11)5(3-9)4-12-7/h3,5H,4H2,1-2H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 57042631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).