methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate

C12H23NO2 — CID 93035087

IUPACmethyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
SMILESCOC(=O)[C@H](C)CN[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C12H23NO2/c1-9-6-4-5-7-11(9)13-8-10(2)12(14)15-3/h9-11,13H,4-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyBKFQOFXANZLMRR-GMTAPVOTSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds4

About methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate

methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate (PubChem CID 93035087) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
PubChem CID93035087
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
SMILESCOC(=O)[C@H](C)CN[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C12H23NO2/c1-9-6-4-5-7-11(9)13-8-10(2)12(14)15-3/h9-11,13H,4-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyBKFQOFXANZLMRR-GMTAPVOTSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate with MolForge

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Related Compounds

methyl 2-acetamido-3-[(2-methylcyclohexyl)amino]propanoate
CID 103235516
methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate
CID 103254963
methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
CID 65044317
methyl 2-[(2-methylcyclohexyl)amino]butanoate
CID 115279491
methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate
CID 939585
N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide
CID 77028700
methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate
CID 83021227
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214
ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate
CID 63995099
N-(3-methoxy-2-methylpropyl)-2-methylcyclopentan-1-amine
CID 65045798

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate (CID 93035087) is methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate is COC(=O)[C@H](C)CN[C@@H]1CCCC[C@H]1C.
What is the InChIKey of methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate?
The InChIKey is BKFQOFXANZLMRR-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-6-4-5-7-11(9)13-8-10(2)12(14)15-3/h9-11,13H,4-8H2,1-3H3/t9-,10-,11-/m1/s1.
What are the key properties of methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate?
methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate has a molecular weight of 213.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate is sourced from PubChem (CID 93035087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).