3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid

C12H15N3O3 — CID 113447809

IUPAC3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid
SMILESNc1cccnc1C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C12H15N3O3/c13-8-2-1-5-14-11(8)12(18)15-9(6-10(16)17)7-3-4-7/h1-2,5,7,9H,3-4,6,13H2,(H,15,18)(H,16,17)
InChIKeyJBHWKVSWUQDKHY-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.65
Rot. Bonds5

About 3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid

3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid (PubChem CID 113447809) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid
PubChem CID113447809
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid
SMILESNc1cccnc1C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C12H15N3O3/c13-8-2-1-5-14-11(8)12(18)15-9(6-10(16)17)7-3-4-7/h1-2,5,7,9H,3-4,6,13H2,(H,15,18)(H,16,17)
InChIKeyJBHWKVSWUQDKHY-UHFFFAOYSA-N
XLogP0.65
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-((Pyridin-2-yl)formamido)acetic acid
CID 11788622
Gaba-picolinoyl-N
CID 1713718
N-(pyridin-3-ylcarbonyl)valine
CID 299354
(2S)-4-methyl-2-(quinoxaline-2-carbonylamino)pentanoic acid
CID 61138054
DL-Leucine, N-(3-pyridinylcarbonyl)-
CID 919786
(2S)-2-[(pyridin-2-yl)formamido]propanoic acid
CID 29891218
3-Methyl-2-(pyridin-2-ylformamido)butanoic acid
CID 3098099
(3S)-4-oxo-3-(pyridin-2-ylformamido)butanoic acid
CID 23645257
Octanoic acid, 8-[(2-pyridinylcarbonyl)amino]-
CID 10192855
2-Amino-3-(pyridine-2-carbonylamino)propanoic acid
CID 44236347
N,N'-diisopropyl-2,5-pyridinedicarboxamide
CID 896387
1-(Pyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 16769943

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid?
The IUPAC name of 3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid (CID 113447809) is 3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid is Nc1cccnc1C(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid?
The InChIKey is JBHWKVSWUQDKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-8-2-1-5-14-11(8)12(18)15-9(6-10(16)17)7-3-4-7/h1-2,5,7,9H,3-4,6,13H2,(H,15,18)(H,16,17).
What are the key properties of 3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid?
3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid has a molecular weight of 249.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 113447809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).