(2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione

C9H16N4O4 — CID 134205603

IUPAC(2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione
SMILESCC(C)[C@H](N)C(=O)O.Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H11NO2.C4H5N3O2/c1-3(2)4(6)5(7)8;5-2-1-3(8)7-4(9)6-2/h3-4H,6H2,1-2H3,(H,7,8);1H,(H4,5,6,7,8,9)/t4-;/m0./s1
InChIKeyUKCBLWYYZGKRRN-WCCKRBBISA-N
MW244.25 g/mol
LogP-1.30
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione

(2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione (PubChem CID 134205603) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione
PubChem CID134205603
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione
SMILESCC(C)[C@H](N)C(=O)O.Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H11NO2.C4H5N3O2/c1-3(2)4(6)5(7)8;5-2-1-3(8)7-4(9)6-2/h3-4H,6H2,1-2H3,(H,7,8);1H,(H4,5,6,7,8,9)/t4-;/m0./s1
InChIKeyUKCBLWYYZGKRRN-WCCKRBBISA-N
XLogP-1.30
TPSA155.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methylpentanoic acid;1H-pyrimidine-2,4-dione
CID 23042821
2-amino-3-methylbutanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 68612454
(2S)-2-amino-3-methylbutanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 68612455
(2S)-2-amino-3-methylbutanoic acid;1H-pyrimidine-2,4-dione
CID 68725078
(2S)-2-amino-3-methylbutanoic acid;5-fluoro-1H-pyrimidine-2,4-dione
CID 69809663
(2S)-2-amino-4-methylpentanoic acid;1H-pyrimidine-2,4-dione
CID 70361739

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione (CID 134205603) is (2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione is CC(C)[C@H](N)C(=O)O.Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione?
The InChIKey is UKCBLWYYZGKRRN-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.C4H5N3O2/c1-3(2)4(6)5(7)8;5-2-1-3(8)7-4(9)6-2/h3-4H,6H2,1-2H3,(H,7,8);1H,(H4,5,6,7,8,9)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione?
(2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione has a molecular weight of 244.25 g/mol, XLogP of -1.30, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;6-amino-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 134205603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).