N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide

C11H20N2O3 — CID 94646380

IUPACN-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCONC(=O)[C@@H](C)NC(=O)C1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-8(10(14)13-16-2)12-11(15)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyFVTVDZZKQVRERJ-MRVPVSSYSA-N
MW228.29 g/mol
LogP0.75
Rot. Bonds4

About N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide

N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide (PubChem CID 94646380) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
PubChem CID94646380
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCONC(=O)[C@@H](C)NC(=O)C1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-8(10(14)13-16-2)12-11(15)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyFVTVDZZKQVRERJ-MRVPVSSYSA-N
XLogP0.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 94867461
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 47400512
N-methoxycyclopentanecarboxamide
CID 59130435
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120832836
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid
CID 119212075
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
pentyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 20836661

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide (CID 94646380) is N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide is CONC(=O)[C@@H](C)NC(=O)C1CCCCC1.
What is the InChIKey of N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The InChIKey is FVTVDZZKQVRERJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(10(14)13-16-2)12-11(15)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide has a molecular weight of 228.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 94646380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).