(2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid

C11H14N4O5 — CID 61144059

IUPAC(2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C11H14N4O5/c12-8(16)3-2-7(10(18)19)14-9(17)6-15-5-1-4-13-11(15)20/h1,4-5,7H,2-3,6H2,(H2,12,16)(H,14,17)(H,18,19)/t7-/m0/s1
InChIKeySELMQMXSYAFOLK-ZETCQYMHSA-N
MW282.26 g/mol
LogP-1.92
Rot. Bonds7

About (2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid

(2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid (PubChem CID 61144059) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
PubChem CID61144059
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name(2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C11H14N4O5/c12-8(16)3-2-7(10(18)19)14-9(17)6-15-5-1-4-13-11(15)20/h1,4-5,7H,2-3,6H2,(H2,12,16)(H,14,17)(H,18,19)/t7-/m0/s1
InChIKeySELMQMXSYAFOLK-ZETCQYMHSA-N
XLogP-1.92
TPSA144.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(2R)-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 102214320
4-(2H-pyrimidin-1-yl)pyrrolidine-2-carboxylic acid
CID 153904721
5-amino-4-(2-aminopropanoylamino)-5-oxopentanoic acid;N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CID 175242718
4-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43170148
1-[2-(2-Oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355585
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43356432
4-Amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43357093
5-Amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43358661
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43469357
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 43469694
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43630438
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
CID 60832493

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid (CID 61144059) is (2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid is NC(=O)CC[C@H](NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is SELMQMXSYAFOLK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N4O5/c12-8(16)3-2-7(10(18)19)14-9(17)6-15-5-1-4-13-11(15)20/h1,4-5,7H,2-3,6H2,(H2,12,16)(H,14,17)(H,18,19)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
(2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 282.26 g/mol, XLogP of -1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 61144059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).