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

C10H13N3O6 — CID 107823315

IUPAC(2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H13N3O6/c14-4-2-6(9(17)18)11-8(16)5-13-3-1-7(15)12-10(13)19/h1,3,6,14H,2,4-5H2,(H,11,16)(H,17,18)(H,12,15,19)/t6-/m1/s1
InChIKeyYHFGJJLZQNLLJH-ZCFIWIBFSA-N
MW271.23 g/mol
LogP-2.51
Rot. Bonds6

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

(2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid (PubChem CID 107823315) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is (2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid
PubChem CID107823315
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name(2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H13N3O6/c14-4-2-6(9(17)18)11-8(16)5-13-3-1-7(15)12-10(13)19/h1,3,6,14H,2,4-5H2,(H,11,16)(H,17,18)(H,12,15,19)/t6-/m1/s1
InChIKeyYHFGJJLZQNLLJH-ZCFIWIBFSA-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

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Related Compounds

2-amino-3-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
CID 4479246
3-[3-(2-Carboxyethyl)-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl]-L-Alanine
CID 11076522
(alphaS)-alpha-Amino-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinepropanoic acid
CID 167983
4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid
CID 10957060
(S)-3-(2-amino-2-carboxyethyl)-1-carboxymethylpyrimidine-2,4-dione
CID 10988917
(2R)-2-amino-3-[3-(carboxymethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
CID 11010618
(R)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)pyrimidine-2,4-dione
CID 11021987
(2S)-2-amino-3-[3-(carboxymethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
CID 11054302
(S)-1-(2-amino-2-carboxyethyl)-3-(3-carboxypropyl)pyrimidine-2,4-dione
CID 11140656
(S)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)acetic acid
CID 44413656
(2S,3R)-2-((S)-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)-3-hydroxybutanoic acid
CID 44413658
(2S,3R)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetamido)-3-hydroxybutanoic acid
CID 44413693

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid (CID 107823315) is (2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid is O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid?
The InChIKey is YHFGJJLZQNLLJH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13N3O6/c14-4-2-6(9(17)18)11-8(16)5-13-3-1-7(15)12-10(13)19/h1,3,6,14H,2,4-5H2,(H,11,16)(H,17,18)(H,12,15,19)/t6-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-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 (2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107823315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).