trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide

C10H19NO2 — CID 130725617

IUPACtrans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1C[C@H]1C)C(C)(C)O
InChIInChI=1S/C10H19NO2/c1-6-5-8(6)9(12)11-7(2)10(3,4)13/h6-8,13H,5H2,1-4H3,(H,11,12)/t6-,7?,8-/m1/s1
InChIKeyQLWXELIBUNOCOY-OECOWPMFSA-N
MW185.27 g/mol
LogP0.92
Rot. Bonds3

About trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 130725617) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID130725617
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametrans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1C[C@H]1C)C(C)(C)O
InChIInChI=1S/C10H19NO2/c1-6-5-8(6)9(12)11-7(2)10(3,4)13/h6-8,13H,5H2,1-4H3,(H,11,12)/t6-,7?,8-/m1/s1
InChIKeyQLWXELIBUNOCOY-OECOWPMFSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706911
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 127011730
3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]-3-sulfanylbutanoic acid
CID 16775068
N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47161890
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 103895464
N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747511
(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid
CID 93098157
[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
CID 129021869
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide
CID 106356177
methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate
CID 43422631
2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 115910203

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide (CID 130725617) is trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide is CC(NC(=O)[C@@H]1C[C@H]1C)C(C)(C)O.
What is the InChIKey of trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is QLWXELIBUNOCOY-OECOWPMFSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-5-8(6)9(12)11-7(2)10(3,4)13/h6-8,13H,5H2,1-4H3,(H,11,12)/t6-,7?,8-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130725617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).