3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid

C8H10N4O3 — CID 96614711

IUPAC3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid
SMILESNC(=O)N(CCC(=O)O)c1ccncn1
InChIInChI=1S/C8H10N4O3/c9-8(15)12(4-2-7(13)14)6-1-3-10-5-11-6/h1,3,5H,2,4H2,(H2,9,15)(H,13,14)
InChIKeySOYJXDDPKVGOKS-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.16
Rot. Bonds4

About 3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid

3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid (PubChem CID 96614711) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid
PubChem CID96614711
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid
SMILESNC(=O)N(CCC(=O)O)c1ccncn1
InChIInChI=1S/C8H10N4O3/c9-8(15)12(4-2-7(13)14)6-1-3-10-5-11-6/h1,3,5H,2,4H2,(H2,9,15)(H,13,14)
InChIKeySOYJXDDPKVGOKS-UHFFFAOYSA-N
XLogP-0.16
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(Pyrimidin-2-yl)amino]propanoic acid
CID 10511282
2-Pyrimidineacetic Acid
CID 12367098
2,2-Difluoro-2-(pyrimidin-2-yl)acetic acid
CID 84654803
2-Pyrimidin-4-ylguanidine;2,2,2-trifluoroacetic acid
CID 162657343
2-(4-Aminopyrimidin-2-yl)acetic acid
CID 70518030
Lithium 2-(4-aminopyrimidin-2-yl)acetate
CID 121552871
N,N'-2,4-Pyrimidinediylbis[acetamide]
CID 816936
2-(Pyrimidin-2-yl)propanoic acid
CID 17937042
2,4-Bis(acrylamido)pyrimidine
CID 68406856
Pyrimidine-2,4-diamine-N,N-dimethylacetamide (1/1)
CID 139062338
2-[[2-(Dimethylamino)pyrimidin-4-yl]-propylamino]acetic acid
CID 64829068
3-[(2-Cyclopropylpyrimidin-4-yl)-methylamino]propanoic acid
CID 83838248

Frequently Asked Questions

What is the IUPAC name of 3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid (CID 96614711) is 3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid is NC(=O)N(CCC(=O)O)c1ccncn1.
What is the InChIKey of 3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is SOYJXDDPKVGOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-8(15)12(4-2-7(13)14)6-1-3-10-5-11-6/h1,3,5H,2,4H2,(H2,9,15)(H,13,14).
What are the key properties of 3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid?
3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 210.19 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 96614711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).