(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide

C10H17NO3 — CID 103872794

IUPAC(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide
SMILESCC1(CNC(=O)[C@@H]2CCCO2)COC1
InChIInChI=1S/C10H17NO3/c1-10(6-13-7-10)5-11-9(12)8-3-2-4-14-8/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyYAWFPFBQSRKEFV-QMMMGPOBSA-N
MW199.25 g/mol
LogP0.32
Rot. Bonds3

About (2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide

(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide (PubChem CID 103872794) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide
PubChem CID103872794
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide
SMILESCC1(CNC(=O)[C@@H]2CCCO2)COC1
InChIInChI=1S/C10H17NO3/c1-10(6-13-7-10)5-11-9(12)8-3-2-4-14-8/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyYAWFPFBQSRKEFV-QMMMGPOBSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide
CID 113342862
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide
CID 65119023
1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104855915
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]oxolane-2-carboxamide
CID 110423404
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
(2R)-N-[(3-methyloxetan-3-yl)methyl]azetidine-2-carboxamide;hydrochloride
CID 130637833
2-[1-[(oxolane-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81163593
2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 104855883

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide (CID 103872794) is (2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide is CC1(CNC(=O)[C@@H]2CCCO2)COC1.
What is the InChIKey of (2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide?
The InChIKey is YAWFPFBQSRKEFV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(6-13-7-10)5-11-9(12)8-3-2-4-14-8/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide?
(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 103872794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).