2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid

C14H20N4O5 — CID 91221937

IUPAC2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid
SMILESCc1cn(CC(=O)N(CC(=O)O)CC2CCCN2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N4O5/c1-9-5-18(14(23)16-13(9)22)7-11(19)17(8-12(20)21)6-10-3-2-4-15-10/h5,10,15H,2-4,6-8H2,1H3,(H,20,21)(H,16,22,23)
InChIKeyBCMXZMXOFCZZQC-UHFFFAOYSA-N
MW324.34 g/mol
LogP-1.49
Rot. Bonds6

About 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid

2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid (PubChem CID 91221937) has the molecular formula C14H20N4O5 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid
PubChem CID91221937
Molecular FormulaC14H20N4O5
Molecular Weight324.34 g/mol
Exact Mass324.14
IUPAC Name2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid
SMILESCc1cn(CC(=O)N(CC(=O)O)CC2CCCN2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N4O5/c1-9-5-18(14(23)16-13(9)22)7-11(19)17(8-12(20)21)6-10-3-2-4-15-10/h5,10,15H,2-4,6-8H2,1H3,(H,20,21)(H,16,22,23)
InChIKeyBCMXZMXOFCZZQC-UHFFFAOYSA-N
XLogP-1.49
TPSA124.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid (CID 91221937) is 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid is Cc1cn(CC(=O)N(CC(=O)O)CC2CCCN2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid?
The InChIKey is BCMXZMXOFCZZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5/c1-9-5-18(14(23)16-13(9)22)7-11(19)17(8-12(20)21)6-10-3-2-4-15-10/h5,10,15H,2-4,6-8H2,1H3,(H,20,21)(H,16,22,23).
What are the key properties of 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid?
2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid has a molecular weight of 324.34 g/mol, XLogP of -1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 91221937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).