(1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide

C10H17NO2 — CID 131131616

IUPAC(1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)N[C@@H]1C[C@H]1CO
InChIInChI=1S/C10H17NO2/c1-10(2)4-7(10)9(13)11-8-3-6(8)5-12/h6-8,12H,3-5H2,1-2H3,(H,11,13)/t6-,7+,8+/m0/s1
InChIKeyZZGPPHOAGFIINQ-XLPZGREQSA-N
MW183.25 g/mol
LogP0.53
Rot. Bonds3

About (1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide

(1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 131131616) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID131131616
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)N[C@@H]1C[C@H]1CO
InChIInChI=1S/C10H17NO2/c1-10(2)4-7(10)9(13)11-8-3-6(8)5-12/h6-8,12H,3-5H2,1-2H3,(H,11,13)/t6-,7+,8+/m0/s1
InChIKeyZZGPPHOAGFIINQ-XLPZGREQSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 131131616) is (1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)C[C@@H]1C(=O)N[C@@H]1C[C@H]1CO.
What is the InChIKey of (1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is ZZGPPHOAGFIINQ-XLPZGREQSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2)4-7(10)9(13)11-8-3-6(8)5-12/h6-8,12H,3-5H2,1-2H3,(H,11,13)/t6-,7+,8+/m0/s1.
What are the key properties of (1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide?
(1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 131131616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).