(2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide

C12H23NO3 — CID 103850233

IUPAC(2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)[C@H]1CCCO1
InChIInChI=1S/C12H23NO3/c1-12(2,3)7-9(14)8-13-11(15)10-5-4-6-16-10/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9?,10-/m1/s1
InChIKeyDRSUVIJNJMEJFJ-QVDQXJPCSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds4

About (2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide

(2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide (PubChem CID 103850233) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide
PubChem CID103850233
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)[C@H]1CCCO1
InChIInChI=1S/C12H23NO3/c1-12(2,3)7-9(14)8-13-11(15)10-5-4-6-16-10/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9?,10-/m1/s1
InChIKeyDRSUVIJNJMEJFJ-QVDQXJPCSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
(2S)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103873933
(2R)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103850592
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
CID 66166616
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
(2R)-N-(3,3-difluoro-2-hydroxypropyl)oxolane-2-carboxamide
CID 103850586
N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65037062
2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
CID 53211445
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide (CID 103850233) is (2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide is CC(C)(C)CC(O)CNC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide?
The InChIKey is DRSUVIJNJMEJFJ-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)7-9(14)8-13-11(15)10-5-4-6-16-10/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9?,10-/m1/s1.
What are the key properties of (2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide?
(2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide is sourced from PubChem (CID 103850233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).