(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid

C10H13N3O6 — CID 107834517

IUPAC(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C10H13N3O6/c14-6(9(17)18)1-3-11-8(16)5-13-4-2-7(15)12-10(13)19/h2,4,6,14H,1,3,5H2,(H,11,16)(H,17,18)(H,12,15,19)/t6-/m0/s1
InChIKeyNWEAHYLLRLMZMD-LURJTMIESA-N
MW271.23 g/mol
LogP-2.51
Rot. Bonds6

About (2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid

(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid (PubChem CID 107834517) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is (2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
PubChem CID107834517
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C10H13N3O6/c14-6(9(17)18)1-3-11-8(16)5-13-4-2-7(15)12-10(13)19/h2,4,6,14H,1,3,5H2,(H,11,16)(H,17,18)(H,12,15,19)/t6-/m0/s1
InChIKeyNWEAHYLLRLMZMD-LURJTMIESA-N
XLogP-2.51
TPSA141.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-2.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid with MolForge

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 82682929
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 115636712
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767757
1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311878
(2S)-4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006601
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9456600
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 17408562

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid (CID 107834517) is (2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid is O=C(Cn1ccc(=O)[nH]c1=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid?
The InChIKey is NWEAHYLLRLMZMD-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O6/c14-6(9(17)18)1-3-11-8(16)5-13-4-2-7(15)12-10(13)19/h2,4,6,14H,1,3,5H2,(H,11,16)(H,17,18)(H,12,15,19)/t6-/m0/s1.
What are the key properties of (2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid has a molecular weight of 271.23 g/mol, XLogP of -2.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107834517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).