pentyl 2-aminoacetate;hydrochloride

C7H16ClNO2 — CID 53399005

IUPACpentyl 2-aminoacetate;hydrochloride
SMILESCCCCCOC(=O)CN.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-2-3-4-5-10-7(9)6-8;/h2-6,8H2,1H3;1H
InChIKeySDKHASNUAKBVIR-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.10
Rot. Bonds5

About pentyl 2-aminoacetate;hydrochloride

pentyl 2-aminoacetate;hydrochloride (PubChem CID 53399005) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is pentyl 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Namepentyl 2-aminoacetate;hydrochloride
PubChem CID53399005
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Namepentyl 2-aminoacetate;hydrochloride
SMILESCCCCCOC(=O)CN.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-2-3-4-5-10-7(9)6-8;/h2-6,8H2,1H3;1H
InChIKeySDKHASNUAKBVIR-UHFFFAOYSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentyl 2-aminoacetate;hydrochloride?
The IUPAC name of pentyl 2-aminoacetate;hydrochloride (CID 53399005) is pentyl 2-aminoacetate;hydrochloride.
What is the SMILES notation for pentyl 2-aminoacetate;hydrochloride?
The canonical SMILES for pentyl 2-aminoacetate;hydrochloride is CCCCCOC(=O)CN.Cl.
What is the InChIKey of pentyl 2-aminoacetate;hydrochloride?
The InChIKey is SDKHASNUAKBVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-2-3-4-5-10-7(9)6-8;/h2-6,8H2,1H3;1H.
What are the key properties of pentyl 2-aminoacetate;hydrochloride?
pentyl 2-aminoacetate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-aminoacetate;hydrochloride is sourced from PubChem (CID 53399005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).