2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid

C12H18N2O2 — CID 65064646

IUPAC2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(C)c1cccnc1
InChIInChI=1S/C12H18N2O2/c1-3-7-14(9-12(15)16)10(2)11-5-4-6-13-8-11/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,16)
InChIKeyFQZIQQUMJOAEOV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.94
Rot. Bonds6

About 2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid

2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid (PubChem CID 65064646) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
PubChem CID65064646
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(C)c1cccnc1
InChIInChI=1S/C12H18N2O2/c1-3-7-14(9-12(15)16)10(2)11-5-4-6-13-8-11/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,16)
InChIKeyFQZIQQUMJOAEOV-UHFFFAOYSA-N
XLogP1.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743
4-[propan-2-yl(1-pyridin-3-ylethyl)amino]butanoic acid
CID 65058589
2-[propyl-[1-[3-(tetrazol-1-yl)phenyl]ethyl]amino]acetic acid
CID 65064696
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide
CID 62923105
2-[1-(2,3-difluorophenyl)ethyl-propylamino]acetic acid
CID 114059584
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid?
The IUPAC name of 2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid (CID 65064646) is 2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid is CCCN(CC(=O)O)C(C)c1cccnc1.
What is the InChIKey of 2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid?
The InChIKey is FQZIQQUMJOAEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-7-14(9-12(15)16)10(2)11-5-4-6-13-8-11/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,16).
What are the key properties of 2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid?
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid has a molecular weight of 222.29 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid is sourced from PubChem (CID 65064646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).