2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid

C15H23NO2 — CID 122040180

IUPAC2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid
SMILESCCCc1cccc(CN(CCC)CC(=O)O)c1
InChIInChI=1S/C15H23NO2/c1-3-6-13-7-5-8-14(10-13)11-16(9-4-2)12-15(17)18/h5,7-8,10H,3-4,6,9,11-12H2,1-2H3,(H,17,18)
InChIKeyHJAQQHUWQSUTSD-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.94
Rot. Bonds8

About 2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid

2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid (PubChem CID 122040180) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid
PubChem CID122040180
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid
SMILESCCCc1cccc(CN(CCC)CC(=O)O)c1
InChIInChI=1S/C15H23NO2/c1-3-6-13-7-5-8-14(10-13)11-16(9-4-2)12-15(17)18/h5,7-8,10H,3-4,6,9,11-12H2,1-2H3,(H,17,18)
InChIKeyHJAQQHUWQSUTSD-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid
CID 122040027
2-[(3-fluoro-4-methylphenyl)methyl-propylamino]acetic acid
CID 65064590
2-[(3-bromo-4-methylphenyl)methyl-propylamino]acetic acid
CID 105403617
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(propyl)amino]acetic acid
CID 39364516
2-[(3-cyanophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425157
2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid
CID 39453886
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485
2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
CID 65064840
2-[(2-ethylphenyl)methyl-propylamino]acetic acid
CID 65064687
3-[(dipropylamino)methyl]benzoyl chloride
CID 54263377
3-[(dipropylamino)methyl]benzamide
CID 82041313
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid (CID 122040180) is 2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid is CCCc1cccc(CN(CCC)CC(=O)O)c1.
What is the InChIKey of 2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid?
The InChIKey is HJAQQHUWQSUTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-6-13-7-5-8-14(10-13)11-16(9-4-2)12-15(17)18/h5,7-8,10H,3-4,6,9,11-12H2,1-2H3,(H,17,18).
What are the key properties of 2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid?
2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid has a molecular weight of 249.35 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 122040180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).