2-amino-3-(2H-pyridin-1-yl)propanoic acid

C8H12N2O2 — CID 18415634

IUPAC2-amino-3-(2H-pyridin-1-yl)propanoic acid
SMILESNC(CN1C=CC=CC1)C(=O)O
InChIInChI=1S/C8H12N2O2/c9-7(8(11)12)6-10-4-2-1-3-5-10/h1-4,7H,5-6,9H2,(H,11,12)
InChIKeyKKZPPAUOKAOJIB-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.22
Rot. Bonds3

About 2-amino-3-(2H-pyridin-1-yl)propanoic acid

2-amino-3-(2H-pyridin-1-yl)propanoic acid (PubChem CID 18415634) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-amino-3-(2H-pyridin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2H-pyridin-1-yl)propanoic acid
PubChem CID18415634
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-amino-3-(2H-pyridin-1-yl)propanoic acid
SMILESNC(CN1C=CC=CC1)C(=O)O
InChIInChI=1S/C8H12N2O2/c9-7(8(11)12)6-10-4-2-1-3-5-10/h1-4,7H,5-6,9H2,(H,11,12)
InChIKeyKKZPPAUOKAOJIB-UHFFFAOYSA-N
XLogP-0.22
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(3,4-dihydroxy-2H-pyridin-1-yl)propanoic acid
CID 21145091
(2S)-2-amino-3-(2H-pyridin-1-yl)propanoic acid
CID 23391568
2-Amino-3-(2-oxo-1-pyridinyl)propanoic acid
CID 57177005
2-Amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid
CID 69404602
2-Amino-3-(2,3-dihydropyrrol-1-yl)propanoic acid
CID 69406656
3-[1,2-Dihydropyridin-4-yl(methyl)amino]propanoic acid
CID 163676552
3-(2-amino-2H-pyridin-1-yl)propanoic acid
CID 408686
2-Amino-3-[bis(prop-2-enyl)amino]propanoic acid
CID 64581833
2-Amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid
CID 65441444
2-Amino-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid
CID 65442624
2-amino-3-(3,4-dihydroxy-2H-pyridin-1-yl)propanoic acid
CID 73760482
2-Amino-3-[ethyl(prop-2-enyl)amino]propanoic acid
CID 81818436

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2H-pyridin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2H-pyridin-1-yl)propanoic acid (CID 18415634) is 2-amino-3-(2H-pyridin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2H-pyridin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2H-pyridin-1-yl)propanoic acid is NC(CN1C=CC=CC1)C(=O)O.
What is the InChIKey of 2-amino-3-(2H-pyridin-1-yl)propanoic acid?
The InChIKey is KKZPPAUOKAOJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-7(8(11)12)6-10-4-2-1-3-5-10/h1-4,7H,5-6,9H2,(H,11,12).
What are the key properties of 2-amino-3-(2H-pyridin-1-yl)propanoic acid?
2-amino-3-(2H-pyridin-1-yl)propanoic acid has a molecular weight of 168.20 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2H-pyridin-1-yl)propanoic acid is sourced from PubChem (CID 18415634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).