(2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide

C12H21NO3 — CID 58532990

IUPAC(2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCO1)C(=O)C(C)(C)C
InChIInChI=1S/C12H21NO3/c1-8(10(14)12(2,3)4)13-11(15)9-6-5-7-16-9/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-,9+/m0/s1
InChIKeyOVGVMEPNOJQRCK-DTWKUNHWSA-N
MW227.30 g/mol
LogP1.29
Rot. Bonds3

About (2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide

(2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide (PubChem CID 58532990) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide
PubChem CID58532990
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCO1)C(=O)C(C)(C)C
InChIInChI=1S/C12H21NO3/c1-8(10(14)12(2,3)4)13-11(15)9-6-5-7-16-9/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-,9+/m0/s1
InChIKeyOVGVMEPNOJQRCK-DTWKUNHWSA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide (CID 58532990) is (2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide is C[C@H](NC(=O)[C@H]1CCCO1)C(=O)C(C)(C)C.
What is the InChIKey of (2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide?
The InChIKey is OVGVMEPNOJQRCK-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(10(14)12(2,3)4)13-11(15)9-6-5-7-16-9/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-,9+/m0/s1.
What are the key properties of (2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide?
(2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 58532990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).