(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid

C11H15N3O5 — CID 28773336

IUPAC(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-3-5(2)7(10(17)18)13-8(15)6-4-12-11(19)14-9(6)16/h4-5,7H,3H2,1-2H3,(H,13,15)(H,17,18)(H2,12,14,16,19)/t5-,7-/m0/s1
InChIKeyFCTKBCKKHLNPIQ-FSPLSTOPSA-N
MW269.26 g/mol
LogP-0.71
Rot. Bonds5

About (2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid

(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 28773336) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
PubChem CID28773336
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-3-5(2)7(10(17)18)13-8(15)6-4-12-11(19)14-9(6)16/h4-5,7H,3H2,1-2H3,(H,13,15)(H,17,18)(H2,12,14,16,19)/t5-,7-/m0/s1
InChIKeyFCTKBCKKHLNPIQ-FSPLSTOPSA-N
XLogP-0.71
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid with MolForge

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Related Compounds

alpha-Glutamylthymine
CID 196474
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)-3-methylpentanoic acid
CID 24693148
(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid
CID 175798322
(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylpentanoic acid
CID 28178335
(2R)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 28773276
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 28773278
(2R)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylbutanoic acid
CID 28773296
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylbutanoic acid
CID 28773298
(2R)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 28773308
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 28773310
(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28773312
(2R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28773314

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid (CID 28773336) is (2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of (2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is FCTKBCKKHLNPIQ-FSPLSTOPSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-5(2)7(10(17)18)13-8(15)6-4-12-11(19)14-9(6)16/h4-5,7H,3H2,1-2H3,(H,13,15)(H,17,18)(H2,12,14,16,19)/t5-,7-/m0/s1.
What are the key properties of (2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid?
(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.71, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 28773336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).