2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid

C9H13N3O3 — CID 136958471

IUPAC2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1cc(=O)[nH]cn1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-2-3-6(9(14)15)12-7-4-8(13)11-5-10-7/h4-6H,2-3H2,1H3,(H,14,15)(H2,10,11,12,13)
InChIKeyFROJZUVPXCYMMQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.44
Rot. Bonds5

About 2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid

2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 136958471) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
PubChem CID136958471
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1cc(=O)[nH]cn1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-2-3-6(9(14)15)12-7-4-8(13)11-5-10-7/h4-6H,2-3H2,1H3,(H,14,15)(H2,10,11,12,13)
InChIKeyFROJZUVPXCYMMQ-UHFFFAOYSA-N
XLogP0.44
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]pentanoic acid
CID 136388239
2-(1,4-Dihydropyrimidin-4-ylamino)pentanoic acid
CID 153342761
2-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
CID 177750468
methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
CID 136956434
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958315
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958329
6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958357
3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958403
2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958425
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958431
2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958432
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958435

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (CID 136958471) is 2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is CCCC(Nc1cc(=O)[nH]cn1)C(=O)O.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is FROJZUVPXCYMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-3-6(9(14)15)12-7-4-8(13)11-5-10-7/h4-6H,2-3H2,1H3,(H,14,15)(H2,10,11,12,13).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 136958471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).