(4-methylcyclohexyl) (2R)-2-aminopropanoate

C10H19NO2 — CID 78972398

IUPAC(4-methylcyclohexyl) (2R)-2-aminopropanoate
SMILESCC1CCC(OC(=O)[C@@H](C)N)CC1
InChIInChI=1S/C10H19NO2/c1-7-3-5-9(6-4-7)13-10(12)8(2)11/h7-9H,3-6,11H2,1-2H3/t7?,8-,9?/m1/s1
InChIKeyNCCWOZDXJKLBIX-QJAFJHJLSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds2

About (4-methylcyclohexyl) (2R)-2-aminopropanoate

(4-methylcyclohexyl) (2R)-2-aminopropanoate (PubChem CID 78972398) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (4-methylcyclohexyl) (2R)-2-aminopropanoate.

Molecular Properties

Compound Name(4-methylcyclohexyl) (2R)-2-aminopropanoate
PubChem CID78972398
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(4-methylcyclohexyl) (2R)-2-aminopropanoate
SMILESCC1CCC(OC(=O)[C@@H](C)N)CC1
InChIInChI=1S/C10H19NO2/c1-7-3-5-9(6-4-7)13-10(12)8(2)11/h7-9H,3-6,11H2,1-2H3/t7?,8-,9?/m1/s1
InChIKeyNCCWOZDXJKLBIX-QJAFJHJLSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) (2R)-2-aminopropanoate?
The IUPAC name of (4-methylcyclohexyl) (2R)-2-aminopropanoate (CID 78972398) is (4-methylcyclohexyl) (2R)-2-aminopropanoate.
What is the SMILES notation for (4-methylcyclohexyl) (2R)-2-aminopropanoate?
The canonical SMILES for (4-methylcyclohexyl) (2R)-2-aminopropanoate is CC1CCC(OC(=O)[C@@H](C)N)CC1.
What is the InChIKey of (4-methylcyclohexyl) (2R)-2-aminopropanoate?
The InChIKey is NCCWOZDXJKLBIX-QJAFJHJLSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-3-5-9(6-4-7)13-10(12)8(2)11/h7-9H,3-6,11H2,1-2H3/t7?,8-,9?/m1/s1.
What are the key properties of (4-methylcyclohexyl) (2R)-2-aminopropanoate?
(4-methylcyclohexyl) (2R)-2-aminopropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) (2R)-2-aminopropanoate is sourced from PubChem (CID 78972398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).