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

C10H13BrN2O2 — CID 120964998

IUPAC2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(Br)ccn1
InChIInChI=1S/C10H13BrN2O2/c1-2-5-13(7-10(14)15)9-6-8(11)3-4-12-9/h3-4,6H,2,5,7H2,1H3,(H,14,15)
InChIKeyTZMCPNQRJVPJKY-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.15
Rot. Bonds5

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

2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid (PubChem CID 120964998) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
PubChem CID120964998
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(Br)ccn1
InChIInChI=1S/C10H13BrN2O2/c1-2-5-13(7-10(14)15)9-6-8(11)3-4-12-9/h3-4,6H,2,5,7H2,1H3,(H,14,15)
InChIKeyTZMCPNQRJVPJKY-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

2-[propyl(pyrimidin-2-yl)amino]acetic acid
CID 61008662
2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017
2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54990300
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974
2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021
(4-bromo-2-pyridinyl)-methylcarbamic acid
CID 68656827
2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid
CID 61007224
N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175913
5-[carboxymethyl(propyl)amino]pyrazine-2-carboxylic acid
CID 122051553
2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 54984980
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid
CID 114074920

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid?
The IUPAC name of 2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid (CID 120964998) is 2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid is CCCN(CC(=O)O)c1cc(Br)ccn1.
What is the InChIKey of 2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid?
The InChIKey is TZMCPNQRJVPJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-2-5-13(7-10(14)15)9-6-8(11)3-4-12-9/h3-4,6H,2,5,7H2,1H3,(H,14,15).
What are the key properties of 2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid?
2-[(4-bromo-2-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-[(4-bromo-2-pyridinyl)-propylamino]acetic acid is sourced from PubChem (CID 120964998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).