trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide

C8H14N2O2 — CID 127011730

IUPACtrans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@H]1C[C@@H]1C)C(N)=O
InChIInChI=1S/C8H14N2O2/c1-4-3-6(4)8(12)10-5(2)7(9)11/h4-6H,3H2,1-2H3,(H2,9,11)(H,10,12)/t4-,5?,6-/m0/s1
InChIKeyHICZRGKPMQWRHJ-BZWZBFKDSA-N
MW170.21 g/mol
LogP-0.37
Rot. Bonds3

About trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 127011730) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID127011730
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nametrans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@H]1C[C@@H]1C)C(N)=O
InChIInChI=1S/C8H14N2O2/c1-4-3-6(4)8(12)10-5(2)7(9)11/h4-6H,3H2,1-2H3,(H2,9,11)(H,10,12)/t4-,5?,6-/m0/s1
InChIKeyHICZRGKPMQWRHJ-BZWZBFKDSA-N
XLogP-0.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate
CID 43422631
trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 130725617
3-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 130163371
3-amino-N-(1-amino-1-oxopropan-2-yl)cyclopentane-1-carboxamide
CID 66031893
(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid
CID 93098157
methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate
CID 43404380
methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
CID 124824414
(2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide
CID 130666176
(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130637003
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706891

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide (CID 127011730) is trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide is CC(NC(=O)[C@H]1C[C@@H]1C)C(N)=O.
What is the InChIKey of trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is HICZRGKPMQWRHJ-BZWZBFKDSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-3-6(4)8(12)10-5(2)7(9)11/h4-6H,3H2,1-2H3,(H2,9,11)(H,10,12)/t4-,5?,6-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 170.21 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 127011730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).