2-aminopropanoic acid;methylcyclohexane

C10H21NO2 — CID 145362127

IUPAC2-aminopropanoic acid;methylcyclohexane
SMILESCC(N)C(=O)O.CC1CCCCC1
InChIInChI=1S/C7H14.C3H7NO2/c1-7-5-3-2-4-6-7;1-2(4)3(5)6/h7H,2-6H2,1H3;2H,4H2,1H3,(H,5,6)
InChIKeyFLIQNDSADNHLSC-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.00
Rot. Bonds1

About 2-aminopropanoic acid;methylcyclohexane

2-aminopropanoic acid;methylcyclohexane (PubChem CID 145362127) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-aminopropanoic acid;methylcyclohexane.

Molecular Properties

Compound Name2-aminopropanoic acid;methylcyclohexane
PubChem CID145362127
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-aminopropanoic acid;methylcyclohexane
SMILESCC(N)C(=O)O.CC1CCCCC1
InChIInChI=1S/C7H14.C3H7NO2/c1-7-5-3-2-4-6-7;1-2(4)3(5)6/h7H,2-6H2,1H3;2H,4H2,1H3,(H,5,6)
InChIKeyFLIQNDSADNHLSC-UHFFFAOYSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;methylcyclohexane?
The IUPAC name of 2-aminopropanoic acid;methylcyclohexane (CID 145362127) is 2-aminopropanoic acid;methylcyclohexane.
What is the SMILES notation for 2-aminopropanoic acid;methylcyclohexane?
The canonical SMILES for 2-aminopropanoic acid;methylcyclohexane is CC(N)C(=O)O.CC1CCCCC1.
What is the InChIKey of 2-aminopropanoic acid;methylcyclohexane?
The InChIKey is FLIQNDSADNHLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C3H7NO2/c1-7-5-3-2-4-6-7;1-2(4)3(5)6/h7H,2-6H2,1H3;2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;methylcyclohexane?
2-aminopropanoic acid;methylcyclohexane has a molecular weight of 187.28 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;methylcyclohexane is sourced from PubChem (CID 145362127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).