cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide

C10H17NO — CID 171756340

IUPACcis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C10H17NO/c1-6(2)11-10(12)9-5-8(9)7-3-4-7/h6-9H,3-5H2,1-2H3,(H,11,12)/t8-,9+/m0/s1
InChIKeyPTTMEJAQICBIGY-DTWKUNHWSA-N
MW167.25 g/mol
LogP1.56
Rot. Bonds3

About cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide

cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 171756340) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID171756340
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Namecis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C10H17NO/c1-6(2)11-10(12)9-5-8(9)7-3-4-7/h6-9H,3-5H2,1-2H3,(H,11,12)/t8-,9+/m0/s1
InChIKeyPTTMEJAQICBIGY-DTWKUNHWSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119369099
2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119170208
(1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98532767
(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid
CID 119363265
N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride
CID 119585747
2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid
CID 119223837
N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide
CID 75485006
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide
CID 145466562
2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid
CID 120702696
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
cis-(1S,2S)-2-(hydroxymethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 167023233

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 171756340) is cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)NC(=O)[C@@H]1C[C@H]1C1CC1.
What is the InChIKey of cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is PTTMEJAQICBIGY-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17NO/c1-6(2)11-10(12)9-5-8(9)7-3-4-7/h6-9H,3-5H2,1-2H3,(H,11,12)/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 171756340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).