4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid

C9H12N4O3 — CID 64895405

IUPAC4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1ncccn1
InChIInChI=1S/C9H12N4O3/c10-6(2-3-7(14)15)8(16)13-9-11-4-1-5-12-9/h1,4-6H,2-3,10H2,(H,14,15)(H,11,12,13,16)
InChIKeyQIHRPMOPPKIPQL-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.39
Rot. Bonds5

About 4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid

4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid (PubChem CID 64895405) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid
PubChem CID64895405
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1ncccn1
InChIInChI=1S/C9H12N4O3/c10-6(2-3-7(14)15)8(16)13-9-11-4-1-5-12-9/h1,4-6H,2-3,10H2,(H,14,15)(H,11,12,13,16)
InChIKeyQIHRPMOPPKIPQL-UHFFFAOYSA-N
XLogP-0.39
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-[(3-hydroxy-2-pyridinyl)amino]-5-oxopentanoic acid
CID 113392266
4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
CID 79043536
4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
CID 103094277
4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 64889290
4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
CID 64895232
(2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid
CID 61185937
5-(4-acetamidoanilino)-4-amino-5-oxopentanoic acid
CID 64895797
4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 64895789
4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid
CID 64888719
4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
4-amino-5-(3-bromoanilino)-5-oxopentanoic acid
CID 64895596
4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid
CID 107641748

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid (CID 64895405) is 4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid is NC(CCC(=O)O)C(=O)Nc1ncccn1.
What is the InChIKey of 4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid?
The InChIKey is QIHRPMOPPKIPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-6(2-3-7(14)15)8(16)13-9-11-4-1-5-12-9/h1,4-6H,2-3,10H2,(H,14,15)(H,11,12,13,16).
What are the key properties of 4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid?
4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid has a molecular weight of 224.22 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid is sourced from PubChem (CID 64895405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).