2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride

C17H37ClN2O2 — CID 3022346

IUPAC2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride
SMILESCCCCCCCCCCCCNCCCNCC(=O)O.Cl
InChIInChI=1S/C17H36N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19-16-17(20)21;/h18-19H,2-16H2,1H3,(H,20,21);1H
InChIKeyFMJIRTGWWDILFD-UHFFFAOYSA-N
MW336.95 g/mol
LogP3.98
Rot. Bonds17

About 2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride

2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride (PubChem CID 3022346) has the molecular formula C17H37ClN2O2 and a molecular weight of 336.95 g/mol. Its IUPAC name is 2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride
PubChem CID3022346
Molecular FormulaC17H37ClN2O2
Molecular Weight336.95 g/mol
Exact Mass336.25
IUPAC Name2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride
SMILESCCCCCCCCCCCCNCCCNCC(=O)O.Cl
InChIInChI=1S/C17H36N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19-16-17(20)21;/h18-19H,2-16H2,1H3,(H,20,21);1H
InChIKeyFMJIRTGWWDILFD-UHFFFAOYSA-N
XLogP3.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.95
LogP ≤ 53.98
H-Bond Donors ≤ 53
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 2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride (CID 3022346) is 2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride is CCCCCCCCCCCCNCCCNCC(=O)O.Cl.
What is the InChIKey of 2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride?
The InChIKey is FMJIRTGWWDILFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19-16-17(20)21;/h18-19H,2-16H2,1H3,(H,20,21);1H.
What are the key properties of 2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride?
2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride has a molecular weight of 336.95 g/mol, XLogP of 3.98, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dodecylamino)propylamino]acetic acid;hydrochloride is sourced from PubChem (CID 3022346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).