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

C7H13NO3 — CID 131846770

IUPAC(4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)C1N[C@H](C(=O)O)CO1
InChIInChI=1S/C7H13NO3/c1-4(2)6-8-5(3-11-6)7(9)10/h4-6,8H,3H2,1-2H3,(H,9,10)/t5-,6?/m0/s1
InChIKeyGQIZBNDENQMRLQ-ZBHICJROSA-N
MW159.18 g/mol
LogP0.04
Rot. Bonds2

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

(4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 131846770) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
PubChem CID131846770
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)C1N[C@H](C(=O)O)CO1
InChIInChI=1S/C7H13NO3/c1-4(2)6-8-5(3-11-6)7(9)10/h4-6,8H,3H2,1-2H3,(H,9,10)/t5-,6?/m0/s1
InChIKeyGQIZBNDENQMRLQ-ZBHICJROSA-N
XLogP0.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (CID 131846770) is (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is CC(C)C1N[C@H](C(=O)O)CO1.
What is the InChIKey of (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is GQIZBNDENQMRLQ-ZBHICJROSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4(2)6-8-5(3-11-6)7(9)10/h4-6,8H,3H2,1-2H3,(H,9,10)/t5-,6?/m0/s1.
What are the key properties of (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
(4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 131846770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).