ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate

C11H21NO2 — CID 28582368

IUPACethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate
SMILESCCOC(=O)CN[C@H]1CCCC[C@H]1C
InChIInChI=1S/C11H21NO2/c1-3-14-11(13)8-12-10-7-5-4-6-9(10)2/h9-10,12H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyJJFPNKFFJNYTHC-ZJUUUORDSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds4

About ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate

ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate (PubChem CID 28582368) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate
PubChem CID28582368
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate
SMILESCCOC(=O)CN[C@H]1CCCC[C@H]1C
InChIInChI=1S/C11H21NO2/c1-3-14-11(13)8-12-10-7-5-4-6-9(10)2/h9-10,12H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyJJFPNKFFJNYTHC-ZJUUUORDSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-methoxycyclohexyl)amino]acetate
CID 60810510
N,N'-bis(2-methylcyclohexyl)methanediamine;diethyl (Z)-but-2-enedioate
CID 160878608
ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
CID 60895559
ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate
CID 60661333
N-tert-butyl-2-[(2-methylcyclohexyl)amino]acetamide
CID 43179946
N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine
CID 60688914
ethyl 2-[(2-methylcycloheptyl)amino]pentanoate
CID 83040703
2-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972
N-(2-methoxyethyl)-2-[(2-methylcyclohexyl)amino]acetamide
CID 60646854
N-(cyclopropylmethyl)-2-[(2-methylcyclopentyl)amino]acetamide
CID 63277675
methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
CID 93035087
2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4193724

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate?
The IUPAC name of ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate (CID 28582368) is ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate is CCOC(=O)CN[C@H]1CCCC[C@H]1C.
What is the InChIKey of ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate?
The InChIKey is JJFPNKFFJNYTHC-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-14-11(13)8-12-10-7-5-4-6-9(10)2/h9-10,12H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate?
ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate is sourced from PubChem (CID 28582368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).