(2-methylcyclohexyl) 2-aminoacetate

C9H17NO2 — CID 61277228

IUPAC(2-methylcyclohexyl) 2-aminoacetate
SMILESCC1CCCCC1OC(=O)CN
InChIInChI=1S/C9H17NO2/c1-7-4-2-3-5-8(7)12-9(11)6-10/h7-8H,2-6,10H2,1H3
InChIKeyBUVNOWJVEYCWRO-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds2

About (2-methylcyclohexyl) 2-aminoacetate

(2-methylcyclohexyl) 2-aminoacetate (PubChem CID 61277228) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2-methylcyclohexyl) 2-aminoacetate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 2-aminoacetate
PubChem CID61277228
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2-methylcyclohexyl) 2-aminoacetate
SMILESCC1CCCCC1OC(=O)CN
InChIInChI=1S/C9H17NO2/c1-7-4-2-3-5-8(7)12-9(11)6-10/h7-8H,2-6,10H2,1H3
InChIKeyBUVNOWJVEYCWRO-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(-)-Menthyl glycinate
CID 13751366
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-aminoacetate
CID 13751371
2-Ethylhexyl aminoacetate
CID 11608059
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-aminoacetate
CID 13751370
(2-methylcyclohexyl) (2R)-2-aminopropanoate
CID 14031640
(2,6-Dimethylcyclohexyl) 2-aminoacetate
CID 20129166
Cyclohexylmethyl 2-aminoacetate
CID 20129318
(3-Methyl-3-propan-2-ylcyclohexyl) 2-aminoacetate
CID 20345158
Cyclohexylmethyl 2-aminopropanoate
CID 44228556
[(1R,2R)-2-methylcyclohexyl] (2R)-2-aminopropanoate
CID 53789919
(4-Methylcyclohexyl) 2-aminoacetate
CID 53946020
2-Cyclohexylethyl 2-aminoacetate
CID 54016535

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 2-aminoacetate?
The IUPAC name of (2-methylcyclohexyl) 2-aminoacetate (CID 61277228) is (2-methylcyclohexyl) 2-aminoacetate.
What is the SMILES notation for (2-methylcyclohexyl) 2-aminoacetate?
The canonical SMILES for (2-methylcyclohexyl) 2-aminoacetate is CC1CCCCC1OC(=O)CN.
What is the InChIKey of (2-methylcyclohexyl) 2-aminoacetate?
The InChIKey is BUVNOWJVEYCWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-4-2-3-5-8(7)12-9(11)6-10/h7-8H,2-6,10H2,1H3.
What are the key properties of (2-methylcyclohexyl) 2-aminoacetate?
(2-methylcyclohexyl) 2-aminoacetate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 2-aminoacetate is sourced from PubChem (CID 61277228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).