2-amino-3-(5-amino-3-pyridinyl)propanoic acid

C8H11N3O2 — CID 55283262

IUPAC2-amino-3-(5-amino-3-pyridinyl)propanoic acid
SMILESNc1cncc(CC(N)C(=O)O)c1
InChIInChI=1S/C8H11N3O2/c9-6-1-5(3-11-4-6)2-7(10)8(12)13/h1,3-4,7H,2,9-10H2,(H,12,13)
InChIKeyHMPIUHLYMRKTTH-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.38
Rot. Bonds3

About 2-amino-3-(5-amino-3-pyridinyl)propanoic acid

2-amino-3-(5-amino-3-pyridinyl)propanoic acid (PubChem CID 55283262) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-3-(5-amino-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-amino-3-pyridinyl)propanoic acid
PubChem CID55283262
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-amino-3-(5-amino-3-pyridinyl)propanoic acid
SMILESNc1cncc(CC(N)C(=O)O)c1
InChIInChI=1S/C8H11N3O2/c9-6-1-5(3-11-4-6)2-7(10)8(12)13/h1,3-4,7H,2,9-10H2,(H,12,13)
InChIKeyHMPIUHLYMRKTTH-UHFFFAOYSA-N
XLogP-0.38
TPSA102.23 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 ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(5-sulfanyl-3-pyridinyl)propanoic acid
CID 139022717
2-amino-3-(5-methyl-3-pyridinyl)propanoic acid
CID 55282394
(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride
CID 162344222
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid
CID 169025030
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
5-(2-methylpropyl)pyridin-3-amine
CID 82417429
2-amino-3-(3,5-diamino-4-hydroxyphenyl)propanoic acid
CID 57367824
(2S)-2-amino-3-phenylpropanoic acid;aniline
CID 159455369
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid
CID 83837749

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-amino-3-pyridinyl)propanoic acid?
The IUPAC name of 2-amino-3-(5-amino-3-pyridinyl)propanoic acid (CID 55283262) is 2-amino-3-(5-amino-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-amino-3-pyridinyl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-amino-3-pyridinyl)propanoic acid is Nc1cncc(CC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-(5-amino-3-pyridinyl)propanoic acid?
The InChIKey is HMPIUHLYMRKTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-6-1-5(3-11-4-6)2-7(10)8(12)13/h1,3-4,7H,2,9-10H2,(H,12,13).
What are the key properties of 2-amino-3-(5-amino-3-pyridinyl)propanoic acid?
2-amino-3-(5-amino-3-pyridinyl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-amino-3-pyridinyl)propanoic acid is sourced from PubChem (CID 55283262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).