5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid

C10H14N2O4 — CID 170828477

IUPAC5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(O)C(O)CN)cnc1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-5-2-6(9(14)7(13)3-11)4-12-8(5)10(15)16/h2,4,7,9,13-14H,3,11H2,1H3,(H,15,16)
InChIKeyNZFSVFCJHFJKCH-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.56
Rot. Bonds4

About 5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid

5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid (PubChem CID 170828477) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid
PubChem CID170828477
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(O)C(O)CN)cnc1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-5-2-6(9(14)7(13)3-11)4-12-8(5)10(15)16/h2,4,7,9,13-14H,3,11H2,1H3,(H,15,16)
InChIKeyNZFSVFCJHFJKCH-UHFFFAOYSA-N
XLogP-0.56
TPSA116.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-azido-1,2-dihydroxybutyl)-3-methylpyridine-2-carboxylic acid
CID 171879921
5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-3-methylpyridine-2-carboxylic acid
CID 171885297
3-amino-1-(4-amino-3,5-dimethylphenyl)propane-1,2-diol
CID 170828087
3,5-dimethylpyridine-2-carboxylic acid
CID 15426890
3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol
CID 170827505
5-(3-amino-1,2-dihydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 170828642
4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956
3-(3-amino-1,2-dihydroxypropyl)-5-chlorobenzoic acid
CID 170828294
3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid
CID 171885219
4-(3-chloro-1,2-dihydroxypropyl)-2,6-dimethylbenzoic acid
CID 171862598
3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol
CID 170827559
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid (CID 170828477) is 5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid is Cc1cc(C(O)C(O)CN)cnc1C(=O)O.
What is the InChIKey of 5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid?
The InChIKey is NZFSVFCJHFJKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5-2-6(9(14)7(13)3-11)4-12-8(5)10(15)16/h2,4,7,9,13-14H,3,11H2,1H3,(H,15,16).
What are the key properties of 5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid?
5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of -0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 170828477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).