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

C12H21NO3 — CID 58533013

IUPAC(2S)-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-IUCAKERBSA-N
MW227.30 g/mol
LogP1.29
Rot. Bonds3

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

(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide (PubChem CID 58533013) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide
PubChem CID58533013
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(2S)-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-IUCAKERBSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide (CID 58533013) is (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-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 (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide?
The InChIKey is OVGVMEPNOJQRCK-IUCAKERBSA-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 (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide?
(2S)-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 (2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 58533013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).