3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride

C18H22ClNO2 — CID 10267968

IUPAC3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2.ClH/c20-18(21)12-14-19-13-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16;/h1-10,17,19H,11-14H2,(H,20,21);1H
InChIKeyLHWRJZTVFRXENR-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.69
Rot. Bonds8

About 3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride

3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride (PubChem CID 10267968) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride
PubChem CID10267968
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2.ClH/c20-18(21)12-14-19-13-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16;/h1-10,17,19H,11-14H2,(H,20,21);1H
InChIKeyLHWRJZTVFRXENR-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(4-tert-butylphenyl)-3-phenylpropyl]amino]acetic acid
CID 21019854
3-[3-[4-(3,3-diphenylpropoxy)phenyl]propylamino]propanoic acid
CID 23121607
2-(3,3-diphenylpropylamino)ethyl propanoate
CID 163926617
3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466353
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid
CID 68910081
3-(1-phenylethylamino)propanoic acid
CID 2826777
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
3,3-diphenylpropylurea;formic acid
CID 157477952
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride?
The IUPAC name of 3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride (CID 10267968) is 3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride?
The canonical SMILES for 3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride is Cl.O=C(O)CCNCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride?
The InChIKey is LHWRJZTVFRXENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c20-18(21)12-14-19-13-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16;/h1-10,17,19H,11-14H2,(H,20,21);1H.
What are the key properties of 3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride?
3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 10267968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).