(2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid

C10H15N3O4 — CID 15518556

IUPAC(2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid
SMILESCc1cn(CCC[C@H](N)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-6-5-13(10(17)12-8(6)14)4-2-3-7(11)9(15)16/h5,7H,2-4,11H2,1H3,(H,15,16)(H,12,14,17)/t7-/m0/s1
InChIKeyOGZLDEVWNVXFRA-ZETCQYMHSA-N
MW241.25 g/mol
LogP-0.96
Rot. Bonds5

About (2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid

(2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid (PubChem CID 15518556) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid
PubChem CID15518556
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid
SMILESCc1cn(CCC[C@H](N)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-6-5-13(10(17)12-8(6)14)4-2-3-7(11)9(15)16/h5,7H,2-4,11H2,1H3,(H,15,16)(H,12,14,17)/t7-/m0/s1
InChIKeyOGZLDEVWNVXFRA-ZETCQYMHSA-N
XLogP-0.96
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)butanoic acid
CID 289646
1-(2-(Carboxyethyl)ethyl)thymine
CID 10656829
2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 253740
(2S)-2-amino-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoic acid
CID 3246492
2-Amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid hydrochloride
CID 138991852
2-[4-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)butoxycarbonylamino]-5-ureido-pentanoic acid
CID 391691
2-[5-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]-5-ureido-pentanoic acid
CID 391692
2-[6-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)hexoxycarbonylamino]-5-ureido-pentanoic acid
CID 391693
2-Amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
CID 58503440
2-Acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
CID 70667708
2-amino-4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid
CID 304560
3-(2,6-Dihydroxypyrimidine-5-yl)-alanine
CID 11390010

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid (CID 15518556) is (2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid is Cc1cn(CCC[C@H](N)C(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of (2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid?
The InChIKey is OGZLDEVWNVXFRA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6-5-13(10(17)12-8(6)14)4-2-3-7(11)9(15)16/h5,7H,2-4,11H2,1H3,(H,15,16)(H,12,14,17)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid?
(2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid is sourced from PubChem (CID 15518556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).