4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid

C13H19N3O5 — CID 43359994

IUPAC4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H19N3O5/c1-8-9(12(20)15-13(21)14-8)5-6-10(17)16(2)7-3-4-11(18)19/h3-7H2,1-2H3,(H,18,19)(H2,14,15,20,21)
InChIKeyPVJWEBGOIVRRDU-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.37
Rot. Bonds7

About 4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid

4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid (PubChem CID 43359994) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid
PubChem CID43359994
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H19N3O5/c1-8-9(12(20)15-13(21)14-8)5-6-10(17)16(2)7-3-4-11(18)19/h3-7H2,1-2H3,(H,18,19)(H2,14,15,20,21)
InChIKeyPVJWEBGOIVRRDU-UHFFFAOYSA-N
XLogP-0.37
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid with MolForge

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Related Compounds

3-(2,4-dioxo-3,4,5,6,7,8-hexahydro-1(2H)-quinazolinyl)-propanecarboxylic acid
CID 21916435
5-(3-Aminopropyl)-6-(3-hydroxypropyl)-1,3-dimethylpyrimidine-2,4-dione
CID 57879188
(3-Butyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690496
(3-Cyclohexyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690498
[3-(2-Cyclohex-1-en-1-ylethyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]acetic acid
CID 28690500
(6-Methyl-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690566
[6-Methyl-3-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]acetic acid
CID 28690568
(3,6-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690728
(3-Ethyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690730
3-methyl-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 43353953
2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid
CID 43354404
3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
CID 43354743

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid (CID 43359994) is 4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid?
The InChIKey is PVJWEBGOIVRRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-8-9(12(20)15-13(21)14-8)5-6-10(17)16(2)7-3-4-11(18)19/h3-7H2,1-2H3,(H,18,19)(H2,14,15,20,21).
What are the key properties of 4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid?
4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid is sourced from PubChem (CID 43359994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).