3-(pyrimidine-2-carbonylamino)propanoic acid

Name: 3-(pyrimidine-2-carbonylamino)propanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₉N₃O₃ — CID 115730014

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(pyrimidine-2-carbonylamino)propanoic acid

SMILESO=C(O)CCNC(=O)c1ncccn1

InChIInChI=1S/C8H9N3O3/c12-6(13)2-5-11-8(14)7-9-3-1-4-10-7/h1,3-4H,2,5H2,(H,11,14)(H,12,13)

InChIKeyJQRHYQZAXALXPG-UHFFFAOYSA-N

MW195.18 g/mol

LogP-0.32

Rot. Bonds4

About 3-(pyrimidine-2-carbonylamino)propanoic acid

3-(pyrimidine-2-carbonylamino)propanoic acid (PubChem CID 115730014) has the molecular formula C₈H₉N₃O₃ and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-(pyrimidine-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name	3-(pyrimidine-2-carbonylamino)propanoic acid
PubChem CID	115730014
Molecular Formula	C₈H₉N₃O₃
Molecular Weight	195.18 g/mol
Exact Mass	195.06
IUPAC Name	3-(pyrimidine-2-carbonylamino)propanoic acid
SMILES	O=C(O)CCNC(=O)c1ncccn1
InChI	InChI=1S/C8H9N3O3/c12-6(13)2-5-11-8(14)7-9-3-1-4-10-7/h1,3-4H,2,5H2,(H,11,14)(H,12,13)
InChIKey	JQRHYQZAXALXPG-UHFFFAOYSA-N
XLogP	-0.32
TPSA	92.18 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	195.18
LogP ≤ 5	-0.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(pyrimidine-2-carbonylamino)propanoic acid?

The IUPAC name of 3-(pyrimidine-2-carbonylamino)propanoic acid (CID 115730014) is 3-(pyrimidine-2-carbonylamino)propanoic acid.

What is the SMILES notation for 3-(pyrimidine-2-carbonylamino)propanoic acid?

The canonical SMILES for 3-(pyrimidine-2-carbonylamino)propanoic acid is O=C(O)CCNC(=O)c1ncccn1.

What is the InChIKey of 3-(pyrimidine-2-carbonylamino)propanoic acid?

The InChIKey is JQRHYQZAXALXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-6(13)2-5-11-8(14)7-9-3-1-4-10-7/h1,3-4H,2,5H2,(H,11,14)(H,12,13).

What are the key properties of 3-(pyrimidine-2-carbonylamino)propanoic acid?

3-(pyrimidine-2-carbonylamino)propanoic acid has a molecular weight of 195.18 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(pyrimidine-2-carbonylamino)propanoic acid is sourced from PubChem (CID 115730014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115730014 — identifiers, structure, computed properties (public domain)

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