cyclohexyl 2-(propan-2-ylamino)propanoate

C12H23NO2 — CID 19362177

IUPACcyclohexyl 2-(propan-2-ylamino)propanoate
SMILESCC(C)NC(C)C(=O)OC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-9(2)13-10(3)12(14)15-11-7-5-4-6-8-11/h9-11,13H,4-8H2,1-3H3
InChIKeyGRFMGCCSSBHZFP-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.25
Rot. Bonds4

About cyclohexyl 2-(propan-2-ylamino)propanoate

cyclohexyl 2-(propan-2-ylamino)propanoate (PubChem CID 19362177) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is cyclohexyl 2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namecyclohexyl 2-(propan-2-ylamino)propanoate
PubChem CID19362177
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namecyclohexyl 2-(propan-2-ylamino)propanoate
SMILESCC(C)NC(C)C(=O)OC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-9(2)13-10(3)12(14)15-11-7-5-4-6-8-11/h9-11,13H,4-8H2,1-3H3
InChIKeyGRFMGCCSSBHZFP-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]propyl]cyclohexyl] 2-(propan-2-ylamino)propanoate
CID 134255610
cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate
CID 123600330
cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate
CID 90251497
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
cyclohexyl 2-aminopropanoate;ethene
CID 144654176
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclohexyl 3-iodo-2-methylpropanoate
CID 155283171
dicyclononyl carbonate
CID 139618210
cyclobutyl (2S)-2-aminopropanoate
CID 45086620
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(propan-2-ylamino)propanoate?
The IUPAC name of cyclohexyl 2-(propan-2-ylamino)propanoate (CID 19362177) is cyclohexyl 2-(propan-2-ylamino)propanoate.
What is the SMILES notation for cyclohexyl 2-(propan-2-ylamino)propanoate?
The canonical SMILES for cyclohexyl 2-(propan-2-ylamino)propanoate is CC(C)NC(C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(propan-2-ylamino)propanoate?
The InChIKey is GRFMGCCSSBHZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)13-10(3)12(14)15-11-7-5-4-6-8-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of cyclohexyl 2-(propan-2-ylamino)propanoate?
cyclohexyl 2-(propan-2-ylamino)propanoate has a molecular weight of 213.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 19362177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).