(1-methylcyclohexyl) 2-aminoacetate

C9H17NO2 — CID 56994334

IUPAC(1-methylcyclohexyl) 2-aminoacetate
SMILESCC1(OC(=O)CN)CCCCC1
InChIInChI=1S/C9H17NO2/c1-9(12-8(11)7-10)5-3-2-4-6-9/h2-7,10H2,1H3
InChIKeyFEANSAIFIGHCBT-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.21
Rot. Bonds2

About (1-methylcyclohexyl) 2-aminoacetate

(1-methylcyclohexyl) 2-aminoacetate (PubChem CID 56994334) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1-methylcyclohexyl) 2-aminoacetate.

Molecular Properties

Compound Name(1-methylcyclohexyl) 2-aminoacetate
PubChem CID56994334
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1-methylcyclohexyl) 2-aminoacetate
SMILESCC1(OC(=O)CN)CCCCC1
InChIInChI=1S/C9H17NO2/c1-9(12-8(11)7-10)5-3-2-4-6-9/h2-7,10H2,1H3
InChIKeyFEANSAIFIGHCBT-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) 2-aminoacetate?
The IUPAC name of (1-methylcyclohexyl) 2-aminoacetate (CID 56994334) is (1-methylcyclohexyl) 2-aminoacetate.
What is the SMILES notation for (1-methylcyclohexyl) 2-aminoacetate?
The canonical SMILES for (1-methylcyclohexyl) 2-aminoacetate is CC1(OC(=O)CN)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl) 2-aminoacetate?
The InChIKey is FEANSAIFIGHCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(12-8(11)7-10)5-3-2-4-6-9/h2-7,10H2,1H3.
What are the key properties of (1-methylcyclohexyl) 2-aminoacetate?
(1-methylcyclohexyl) 2-aminoacetate has a molecular weight of 171.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) 2-aminoacetate is sourced from PubChem (CID 56994334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).