4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid

C10H12N4O5 — CID 43357093

IUPAC4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESNC(=O)CC(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C10H12N4O5/c11-7(15)4-6(9(17)18)13-8(16)5-14-3-1-2-12-10(14)19/h1-3,6H,4-5H2,(H2,11,15)(H,13,16)(H,17,18)
InChIKeyFQFBOPPWLUTIKR-UHFFFAOYSA-N
MW268.23 g/mol
LogP-2.31
Rot. Bonds6

About 4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid

4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 43357093) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is 4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
PubChem CID43357093
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESNC(=O)CC(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C10H12N4O5/c11-7(15)4-6(9(17)18)13-8(16)5-14-3-1-2-12-10(14)19/h1-3,6H,4-5H2,(H2,11,15)(H,13,16)(H,17,18)
InChIKeyFQFBOPPWLUTIKR-UHFFFAOYSA-N
XLogP-2.31
TPSA144.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-2.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

Fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid
CID 166460116
(2S)-4-amino-4-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoic acid
CID 170357922
(2S)-4-amino-2-(1,2-dihydropyrimidin-6-ylamino)-4-oxobutanoic acid
CID 175718537
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43170393
4-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43355048
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
5-Amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43358661
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43360866
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43469357
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43630438
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
CID 60832493
(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 61132202

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (CID 43357093) is 4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is NC(=O)CC(NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is FQFBOPPWLUTIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5/c11-7(15)4-6(9(17)18)13-8(16)5-14-3-1-2-12-10(14)19/h1-3,6H,4-5H2,(H2,11,15)(H,13,16)(H,17,18).
What are the key properties of 4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 268.23 g/mol, XLogP of -2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43357093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).