propylamino pentanoate;hydrochloride

C8H18ClNO2 — CID 175097669

IUPACpropylamino pentanoate;hydrochloride
SMILESCCCCC(=O)ONCCC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-3-5-6-8(10)11-9-7-4-2;/h9H,3-7H2,1-2H3;1H
InChIKeyBYMHVXDKAQTBTI-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.06
Rot. Bonds6

About propylamino pentanoate;hydrochloride

propylamino pentanoate;hydrochloride (PubChem CID 175097669) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is propylamino pentanoate;hydrochloride.

Molecular Properties

Compound Namepropylamino pentanoate;hydrochloride
PubChem CID175097669
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Namepropylamino pentanoate;hydrochloride
SMILESCCCCC(=O)ONCCC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-3-5-6-8(10)11-9-7-4-2;/h9H,3-7H2,1-2H3;1H
InChIKeyBYMHVXDKAQTBTI-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(hexylamino) octanoate
CID 174754807
(dodecylamino) octanoate
CID 175102615
(nonylamino) butanoate
CID 167224180
(2-aminoethylamino) octadecanoate
CID 87496709
bis(butylamino) propanedioate
CID 175326420
ethylamino decanoate
CID 151278124
[[(Z)-octadec-9-enyl]amino] hexadecanoate
CID 155150078
[2-(diethylamino)ethylamino] octadecanoate
CID 175474278
propylamino 3-[(2-methoxy-2-oxoethyl)amino]propanoate
CID 166650852
formamido pentanoate
CID 88804872
1-O-[2,3-bis[[9-(butylaminooxy)-9-oxononanoyl]oxy]propyl] 9-O-[3-[7-(butylaminooxy)-7-oxoheptanoyl]oxy-2-[9-(butylaminooxy)-9-oxononanoyl]oxypropyl] nonanedioate
CID 126495744
fluoro pentanoate;hydrochloride
CID 140774390

Frequently Asked Questions

What is the IUPAC name of propylamino pentanoate;hydrochloride?
The IUPAC name of propylamino pentanoate;hydrochloride (CID 175097669) is propylamino pentanoate;hydrochloride.
What is the SMILES notation for propylamino pentanoate;hydrochloride?
The canonical SMILES for propylamino pentanoate;hydrochloride is CCCCC(=O)ONCCC.Cl.
What is the InChIKey of propylamino pentanoate;hydrochloride?
The InChIKey is BYMHVXDKAQTBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-3-5-6-8(10)11-9-7-4-2;/h9H,3-7H2,1-2H3;1H.
What are the key properties of propylamino pentanoate;hydrochloride?
propylamino pentanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propylamino pentanoate;hydrochloride is sourced from PubChem (CID 175097669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).