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

C6H11NO3 — CID 24804857

IUPAC(4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC1(C)N[C@H](C(=O)O)CO1
InChIInChI=1S/C6H11NO3/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyPPWHHAIRIFSDCP-BYPYZUCNSA-N
MW145.16 g/mol
LogP-0.20
Rot. Bonds1

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

(4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 24804857) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID24804857
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC1(C)N[C@H](C(=O)O)CO1
InChIInChI=1S/C6H11NO3/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyPPWHHAIRIFSDCP-BYPYZUCNSA-N
XLogP-0.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid (CID 24804857) is (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid is CC1(C)N[C@H](C(=O)O)CO1.
What is the InChIKey of (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is PPWHHAIRIFSDCP-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid?
(4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 24804857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).