(2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid

C10H14N4O5 — CID 119360664

IUPAC(2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C10H14N4O5/c1-3(2)5(9(17)18)12-8(16)6-4(11)7(15)14-10(19)13-6/h3,5H,11H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,15,19)/t5-/m0/s1
InChIKeyDJYPDJPCGRSAEX-YFKPBYRVSA-N
MW270.25 g/mol
LogP-1.52
Rot. Bonds4

About (2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid

(2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 119360664) has the molecular formula C10H14N4O5 and a molecular weight of 270.25 g/mol. Its IUPAC name is (2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid
PubChem CID119360664
Molecular FormulaC10H14N4O5
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name(2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C10H14N4O5/c1-3(2)5(9(17)18)12-8(16)6-4(11)7(15)14-10(19)13-6/h3,5H,11H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,15,19)/t5-/m0/s1
InChIKeyDJYPDJPCGRSAEX-YFKPBYRVSA-N
XLogP-1.52
TPSA158.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-1.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid (CID 119360664) is (2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid is CC(C)[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)C(=O)O.
What is the InChIKey of (2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is DJYPDJPCGRSAEX-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-3(2)5(9(17)18)12-8(16)6-4(11)7(15)14-10(19)13-6/h3,5H,11H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,15,19)/t5-/m0/s1.
What are the key properties of (2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid?
(2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 270.25 g/mol, XLogP of -1.52, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 119360664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).