5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid

C10H13N3O3 — CID 81100486

IUPAC5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESC[C@@H](N)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H13N3O3/c1-6(11)9(14)13-5-7-2-3-8(10(15)16)12-4-7/h2-4,6H,5,11H2,1H3,(H,13,14)(H,15,16)/t6-/m1/s1
InChIKeyHGDUUDVHHQBZHG-ZCFIWIBFSA-N
MW223.23 g/mol
LogP-0.26
Rot. Bonds4

About 5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81100486) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81100486
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESC[C@@H](N)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H13N3O3/c1-6(11)9(14)13-5-7-2-3-8(10(15)16)12-4-7/h2-4,6H,5,11H2,1H3,(H,13,14)(H,15,16)/t6-/m1/s1
InChIKeyHGDUUDVHHQBZHG-ZCFIWIBFSA-N
XLogP-0.26
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81098482
5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 112555795
5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
CID 81100485
5-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]pyridine-2-carboxylic acid
CID 81089954
(2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850304
5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095512
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090541
5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099373
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
(2S)-2-amino-N-[(6-bromo-3-pyridinyl)methyl]-3-methylbutanamide
CID 66568601

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid (CID 81100486) is 5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid is C[C@@H](N)C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is HGDUUDVHHQBZHG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6(11)9(14)13-5-7-2-3-8(10(15)16)12-4-7/h2-4,6H,5,11H2,1H3,(H,13,14)(H,15,16)/t6-/m1/s1.
What are the key properties of 5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81100486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).