N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide

C12H20N2O2 — CID 95702443

IUPACN-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESC[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H]1C[C@@H]1C
InChIInChI=1S/C12H20N2O2/c1-7-6-10(7)14-11(15)8(2)13-12(16)9-4-3-5-9/h7-10H,3-6H2,1-2H3,(H,13,16)(H,14,15)/t7-,8+,10+/m0/s1
InChIKeyWDIUZTKLLQDABB-QXFUBDJGSA-N
MW224.30 g/mol
LogP0.82
Rot. Bonds4

About N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide

N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide (PubChem CID 95702443) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
PubChem CID95702443
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESC[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H]1C[C@@H]1C
InChIInChI=1S/C12H20N2O2/c1-7-6-10(7)14-11(15)8(2)13-12(16)9-4-3-5-9/h7-10H,3-6H2,1-2H3,(H,13,16)(H,14,15)/t7-,8+,10+/m0/s1
InChIKeyWDIUZTKLLQDABB-QXFUBDJGSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-[1-(cyclopentylamino)-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 47400512
N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 124857090
(2S)-2-(methylamino)-N-(2-methylcyclopropyl)propanamide
CID 126982180
N-[(2S)-1-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 97000585
N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 97000583
N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide
CID 71934065
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 3501377
N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94646380
(2R)-2-amino-N-(2-methylcyclopropyl)propanamide
CID 62398561
3-(2-aminoethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 62807667
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide (CID 95702443) is N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide is C[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H]1C[C@@H]1C.
What is the InChIKey of N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The InChIKey is WDIUZTKLLQDABB-QXFUBDJGSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7-6-10(7)14-11(15)8(2)13-12(16)9-4-3-5-9/h7-10H,3-6H2,1-2H3,(H,13,16)(H,14,15)/t7-,8+,10+/m0/s1.
What are the key properties of N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 95702443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).