(2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide

C9H15NO2 — CID 130652257

IUPAC(2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide
SMILESC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C9H15NO2/c1-6-5-7(6)10-9(11)8-3-2-4-12-8/h6-8H,2-5H2,1H3,(H,10,11)/t6-,7-,8+/m1/s1
InChIKeyGTACTZUIRYASRJ-PRJMDXOYSA-N
MW169.22 g/mol
LogP0.69
Rot. Bonds2

About (2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide

(2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide (PubChem CID 130652257) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide
PubChem CID130652257
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide
SMILESC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C9H15NO2/c1-6-5-7(6)10-9(11)8-3-2-4-12-8/h6-8H,2-5H2,1H3,(H,10,11)/t6-,7-,8+/m1/s1
InChIKeyGTACTZUIRYASRJ-PRJMDXOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylcyclopropyl)oxane-2-carboxamide
CID 131084366
N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]oxolane-2-carboxamide
CID 131176764
(2R)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-2-carboxamide
CID 104956743
N-(2-aminocyclopropyl)oxane-2-carboxamide
CID 62214437
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2S)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256529
(2R)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256530
3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032104
(2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide
CID 104856246
N-(5-methylpyrrolidin-3-yl)oxolane-2-carboxamide
CID 131057678

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide (CID 130652257) is (2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide is C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide?
The InChIKey is GTACTZUIRYASRJ-PRJMDXOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-5-7(6)10-9(11)8-3-2-4-12-8/h6-8H,2-5H2,1H3,(H,10,11)/t6-,7-,8+/m1/s1.
What are the key properties of (2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide?
(2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide is sourced from PubChem (CID 130652257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).