3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid

C9H12N2O3 — CID 173207482

IUPAC3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)C1C=CC=NC1
InChIInChI=1S/C9H12N2O3/c12-8(13)3-5-11-9(14)7-2-1-4-10-6-7/h1-2,4,7H,3,5-6H2,(H,11,14)(H,12,13)
InChIKeyUWHBTTRKZJWDNV-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.17
Rot. Bonds4

About 3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid

3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid (PubChem CID 173207482) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid
PubChem CID173207482
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)C1C=CC=NC1
InChIInChI=1S/C9H12N2O3/c12-8(13)3-5-11-9(14)7-2-1-4-10-6-7/h1-2,4,7H,3,5-6H2,(H,11,14)(H,12,13)
InChIKeyUWHBTTRKZJWDNV-UHFFFAOYSA-N
XLogP-0.17
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid?
The IUPAC name of 3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid (CID 173207482) is 3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid?
The canonical SMILES for 3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid is O=C(O)CCNC(=O)C1C=CC=NC1.
What is the InChIKey of 3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid?
The InChIKey is UWHBTTRKZJWDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8(13)3-5-11-9(14)7-2-1-4-10-6-7/h1-2,4,7H,3,5-6H2,(H,11,14)(H,12,13).
What are the key properties of 3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid?
3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydropyridine-3-carbonylamino)propanoic acid is sourced from PubChem (CID 173207482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).