cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide

C13H25N3O2 — CID 173147997

IUPACcis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)CC(C=NO)NC(=O)[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C13H25N3O2/c1-9(2)7-10(8-15-18)16-13(17)11-5-3-4-6-12(11)14/h8-12,18H,3-7,14H2,1-2H3,(H,16,17)/t10?,11-,12+/m1/s1
InChIKeyHRTMUJOOVKUXPT-SAIIYOCFSA-N
MW255.36 g/mol
LogP1.49
Rot. Bonds5

About cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide

cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide (PubChem CID 173147997) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide
PubChem CID173147997
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Namecis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)CC(C=NO)NC(=O)[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C13H25N3O2/c1-9(2)7-10(8-15-18)16-13(17)11-5-3-4-6-12(11)14/h8-12,18H,3-7,14H2,1-2H3,(H,16,17)/t10?,11-,12+/m1/s1
InChIKeyHRTMUJOOVKUXPT-SAIIYOCFSA-N
XLogP1.49
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2-amino-N-[1-(benzylcarbamothioylhydrazinylidene)-4-methylpentan-2-yl]cyclohexane-1-carboxamide
CID 173147690
2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 64822146
N-[(1S,2R)-2-[(1-hydroxyimino-4-methylpentan-2-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 87733242
2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
CID 119668927
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
CID 64824606
2-amino-N-(2-hydroxy-4-methylpentyl)cyclopentane-1-carboxamide
CID 103812101
2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
CID 82937442
2-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 64603110
2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide
CID 113493513
methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
CID 64823561

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide (CID 173147997) is cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide is CC(C)CC(C=NO)NC(=O)[C@@H]1CCCC[C@@H]1N.
What is the InChIKey of cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is HRTMUJOOVKUXPT-SAIIYOCFSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)7-10(8-15-18)16-13(17)11-5-3-4-6-12(11)14/h8-12,18H,3-7,14H2,1-2H3,(H,16,17)/t10?,11-,12+/m1/s1.
What are the key properties of cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide?
cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 173147997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).