2-[(5-amino-2-pyridinyl)amino]propanoic acid

C8H11N3O2 — CID 117044543

IUPAC2-[(5-amino-2-pyridinyl)amino]propanoic acid
SMILESCC(Nc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C8H11N3O2/c1-5(8(12)13)11-7-3-2-6(9)4-10-7/h2-5H,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyBSTXMDJVJUMHSH-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.55
Rot. Bonds3

About 2-[(5-amino-2-pyridinyl)amino]propanoic acid

2-[(5-amino-2-pyridinyl)amino]propanoic acid (PubChem CID 117044543) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)amino]propanoic acid
PubChem CID117044543
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-[(5-amino-2-pyridinyl)amino]propanoic acid
SMILESCC(Nc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C8H11N3O2/c1-5(8(12)13)11-7-3-2-6(9)4-10-7/h2-5H,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyBSTXMDJVJUMHSH-UHFFFAOYSA-N
XLogP0.55
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
2-N-propan-2-ylpyridine-2,5-diamine
CID 16775330
3-[(5-iodo-2-pyridinyl)amino]butan-2-one
CID 18755928
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
CID 107338226
2-N-pentan-3-ylpyridine-2,5-diamine
CID 16775519
(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
CID 122049964
2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
CID 70348749
2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
CID 63842921
N-(5-amino-2-pyridinyl)-2-(dimethylamino)propanamide
CID 90369688
2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122058332
methyl N-(5-amino-2-pyridinyl)carbamate
CID 58772637
2-N-(1-pyridin-4-ylethyl)pyridine-2,5-diamine
CID 43524034

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)amino]propanoic acid?
The IUPAC name of 2-[(5-amino-2-pyridinyl)amino]propanoic acid (CID 117044543) is 2-[(5-amino-2-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)amino]propanoic acid is CC(Nc1ccc(N)cn1)C(=O)O.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)amino]propanoic acid?
The InChIKey is BSTXMDJVJUMHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5(8(12)13)11-7-3-2-6(9)4-10-7/h2-5H,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(5-amino-2-pyridinyl)amino]propanoic acid?
2-[(5-amino-2-pyridinyl)amino]propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 117044543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).