3-(pyridin-3-ylcarbamoylamino)propanoic acid

C9H11N3O3 — CID 61187643

IUPAC3-(pyridin-3-ylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cccnc1
InChIInChI=1S/C9H11N3O3/c13-8(14)3-5-11-9(15)12-7-2-1-4-10-6-7/h1-2,4,6H,3,5H2,(H,13,14)(H2,11,12,15)
InChIKeyNEGLNHWIVWLKBO-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.68
Rot. Bonds4

About 3-(pyridin-3-ylcarbamoylamino)propanoic acid

3-(pyridin-3-ylcarbamoylamino)propanoic acid (PubChem CID 61187643) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-(pyridin-3-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(pyridin-3-ylcarbamoylamino)propanoic acid
PubChem CID61187643
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name3-(pyridin-3-ylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cccnc1
InChIInChI=1S/C9H11N3O3/c13-8(14)3-5-11-9(15)12-7-2-1-4-10-6-7/h1-2,4,6H,3,5H2,(H,13,14)(H2,11,12,15)
InChIKeyNEGLNHWIVWLKBO-UHFFFAOYSA-N
XLogP0.68
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea
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3-(isoquinolin-5-ylcarbamoylamino)propanoic acid
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1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
1-anilino-3-pyridin-3-ylurea
CID 47127655
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
3-[[(Z)-2-cyano-3-(pyridin-3-ylamino)prop-2-enoyl]amino]propanoic acid
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1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
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CID 118782533

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(pyridin-3-ylcarbamoylamino)propanoic acid (CID 61187643) is 3-(pyridin-3-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(pyridin-3-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(pyridin-3-ylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)Nc1cccnc1.
What is the InChIKey of 3-(pyridin-3-ylcarbamoylamino)propanoic acid?
The InChIKey is NEGLNHWIVWLKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-8(14)3-5-11-9(15)12-7-2-1-4-10-6-7/h1-2,4,6H,3,5H2,(H,13,14)(H2,11,12,15).
What are the key properties of 3-(pyridin-3-ylcarbamoylamino)propanoic acid?
3-(pyridin-3-ylcarbamoylamino)propanoic acid has a molecular weight of 209.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 61187643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).