2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid

C10H13BrN2O2 — CID 120965017

IUPAC2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ccncc1Br
InChIInChI=1S/C10H13BrN2O2/c1-2-5-13(7-10(14)15)9-3-4-12-6-8(9)11/h3-4,6H,2,5,7H2,1H3,(H,14,15)
InChIKeyVOGBDQOEODYAPI-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.15
Rot. Bonds5

About 2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid

2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid (PubChem CID 120965017) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
PubChem CID120965017
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ccncc1Br
InChIInChI=1S/C10H13BrN2O2/c1-2-5-13(7-10(14)15)9-3-4-12-6-8(9)11/h3-4,6H,2,5,7H2,1H3,(H,14,15)
InChIKeyVOGBDQOEODYAPI-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
CID 104779492
2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 104778072
2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid
CID 107424784
2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
CID 120964998
2-(3-bromo-2-carbamoyl-N-propylanilino)acetic acid
CID 114880081
N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine
CID 104777664
2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid
CID 120519712
2-[propyl(pyrimidin-2-yl)amino]acetic acid
CID 61008662
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 106619617
N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine
CID 104779301
2-(2,3-dimethyl-N-propylanilino)acetic acid
CID 83560260

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid?
The IUPAC name of 2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid (CID 120965017) is 2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid is CCCN(CC(=O)O)c1ccncc1Br.
What is the InChIKey of 2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid?
The InChIKey is VOGBDQOEODYAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-2-5-13(7-10(14)15)9-3-4-12-6-8(9)11/h3-4,6H,2,5,7H2,1H3,(H,14,15).
What are the key properties of 2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid?
2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid has a molecular weight of 273.13 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid is sourced from PubChem (CID 120965017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).