(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide

C13H25NO3 — CID 129428756

IUPAC(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
SMILESCC[C@H](C)[C@](C)(O)CNC(=O)[C@H]1CCCOC1
InChIInChI=1S/C13H25NO3/c1-4-10(2)13(3,16)9-14-12(15)11-6-5-7-17-8-11/h10-11,16H,4-9H2,1-3H3,(H,14,15)/t10-,11-,13+/m0/s1
InChIKeyBERCWUVYSUSEBW-GMXVVIOVSA-N
MW243.35 g/mol
LogP1.33
Rot. Bonds5

About (3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide

(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide (PubChem CID 129428756) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
PubChem CID129428756
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
SMILESCC[C@H](C)[C@](C)(O)CNC(=O)[C@H]1CCCOC1
InChIInChI=1S/C13H25NO3/c1-4-10(2)13(3,16)9-14-12(15)11-6-5-7-17-8-11/h10-11,16H,4-9H2,1-3H3,(H,14,15)/t10-,11-,13+/m0/s1
InChIKeyBERCWUVYSUSEBW-GMXVVIOVSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)cyclopentanecarboxamide
CID 111463685
N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide
CID 66181259
N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111477872
N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide
CID 154759417
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide
CID 111477877
N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111478031
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
N-(2-hydroxy-2,3-dimethylpentyl)-2-(oxan-4-yl)propanamide
CID 109476485
N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 111463611
N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide
CID 167749080

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide?
The IUPAC name of (3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide (CID 129428756) is (3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide is CC[C@H](C)[C@](C)(O)CNC(=O)[C@H]1CCCOC1.
What is the InChIKey of (3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide?
The InChIKey is BERCWUVYSUSEBW-GMXVVIOVSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-10(2)13(3,16)9-14-12(15)11-6-5-7-17-8-11/h10-11,16H,4-9H2,1-3H3,(H,14,15)/t10-,11-,13+/m0/s1.
What are the key properties of (3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide?
(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide is sourced from PubChem (CID 129428756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).