(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride

C12H25ClN2O2 — CID 119325372

IUPAC(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCCOC1CCCCCC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-10(13)12(15)14-8-9-16-11-6-4-2-3-5-7-11;/h10-11H,2-9,13H2,1H3,(H,14,15);1H/t10-;/m1./s1
InChIKeyANKHUXUEMMMFRK-HNCPQSOCSA-N
MW264.80 g/mol
LogP1.61
Rot. Bonds5

About (2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride

(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride (PubChem CID 119325372) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
PubChem CID119325372
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCCOC1CCCCCC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-10(13)12(15)14-8-9-16-11-6-4-2-3-5-7-11;/h10-11H,2-9,13H2,1H3,(H,14,15);1H/t10-;/m1./s1
InChIKeyANKHUXUEMMMFRK-HNCPQSOCSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride (CID 119325372) is (2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride is C[C@@H](N)C(=O)NCCOC1CCCCCC1.Cl.
What is the InChIKey of (2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride?
The InChIKey is ANKHUXUEMMMFRK-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-10(13)12(15)14-8-9-16-11-6-4-2-3-5-7-11;/h10-11H,2-9,13H2,1H3,(H,14,15);1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride?
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride is sourced from PubChem (CID 119325372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).