2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid

C9H12N2O3 — CID 55268385

IUPAC2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1cc(CO)ccn1)C(=O)O
InChIInChI=1S/C9H12N2O3/c10-8(9(13)14)4-7-3-6(5-12)1-2-11-7/h1-3,8,12H,4-5,10H2,(H,13,14)
InChIKeyMRGUASBFKXCJGC-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.47
Rot. Bonds4

About 2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid

2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid (PubChem CID 55268385) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid
PubChem CID55268385
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1cc(CO)ccn1)C(=O)O
InChIInChI=1S/C9H12N2O3/c10-8(9(13)14)4-7-3-6(5-12)1-2-11-7/h1-3,8,12H,4-5,10H2,(H,13,14)
InChIKeyMRGUASBFKXCJGC-UHFFFAOYSA-N
XLogP-0.47
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69490346
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351
(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane
CID 161110121
2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid
CID 18439519
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
CID 178184520
1-[4-(hydroxymethyl)-2-pyridinyl]propan-2-one
CID 147791657
2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid
CID 90034851
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
CID 69091689
2-amino-3-[1-[[4-(hydroxymethyl)phenyl]methyl]triazol-4-yl]propanoic acid
CID 116735055

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid (CID 55268385) is 2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid is NC(Cc1cc(CO)ccn1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid?
The InChIKey is MRGUASBFKXCJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-8(9(13)14)4-7-3-6(5-12)1-2-11-7/h1-3,8,12H,4-5,10H2,(H,13,14).
What are the key properties of 2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid?
2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid has a molecular weight of 196.21 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 55268385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).