tert-butyl 5-(methylamino)pentanoate;hydrochloride

C10H22ClNO2 — CID 138987452

IUPACtert-butyl 5-(methylamino)pentanoate;hydrochloride
SMILESCNCCCCC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-10(2,3)13-9(12)7-5-6-8-11-4;/h11H,5-8H2,1-4H3;1H
InChIKeyYYQHGSWMTXFDHB-UHFFFAOYSA-N
MW223.74 g/mol
LogP2.14
Rot. Bonds5

About tert-butyl 5-(methylamino)pentanoate;hydrochloride

tert-butyl 5-(methylamino)pentanoate;hydrochloride (PubChem CID 138987452) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is tert-butyl 5-(methylamino)pentanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 5-(methylamino)pentanoate;hydrochloride
PubChem CID138987452
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Nametert-butyl 5-(methylamino)pentanoate;hydrochloride
SMILESCNCCCCC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-10(2,3)13-9(12)7-5-6-8-11-4;/h11H,5-8H2,1-4H3;1H
InChIKeyYYQHGSWMTXFDHB-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 52.14
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 tert-butyl 5-(methylamino)pentanoate;hydrochloride?
The IUPAC name of tert-butyl 5-(methylamino)pentanoate;hydrochloride (CID 138987452) is tert-butyl 5-(methylamino)pentanoate;hydrochloride.
What is the SMILES notation for tert-butyl 5-(methylamino)pentanoate;hydrochloride?
The canonical SMILES for tert-butyl 5-(methylamino)pentanoate;hydrochloride is CNCCCCC(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl 5-(methylamino)pentanoate;hydrochloride?
The InChIKey is YYQHGSWMTXFDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-10(2,3)13-9(12)7-5-6-8-11-4;/h11H,5-8H2,1-4H3;1H.
What are the key properties of tert-butyl 5-(methylamino)pentanoate;hydrochloride?
tert-butyl 5-(methylamino)pentanoate;hydrochloride has a molecular weight of 223.74 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(methylamino)pentanoate;hydrochloride is sourced from PubChem (CID 138987452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).