2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid

C16H25N5O6 — CID 21106014

IUPAC2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid
SMILESCN(CCN(CC(=O)O)C(=O)Cn1ccc(N)nc1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H25N5O6/c1-16(2,3)27-15(26)19(4)7-8-20(10-13(23)24)12(22)9-21-6-5-11(17)18-14(21)25/h5-6H,7-10H2,1-4H3,(H,23,24)(H2,17,18,25)
InChIKeyLUDBANXSRAUAMT-UHFFFAOYSA-N
MW383.41 g/mol
LogP-0.39
Rot. Bonds7

About 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid

2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid (PubChem CID 21106014) has the molecular formula C16H25N5O6 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid
PubChem CID21106014
Molecular FormulaC16H25N5O6
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid
SMILESCN(CCN(CC(=O)O)C(=O)Cn1ccc(N)nc1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H25N5O6/c1-16(2,3)27-15(26)19(4)7-8-20(10-13(23)24)12(22)9-21-6-5-11(17)18-14(21)25/h5-6H,7-10H2,1-4H3,(H,23,24)(H2,17,18,25)
InChIKeyLUDBANXSRAUAMT-UHFFFAOYSA-N
XLogP-0.39
TPSA148.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]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-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid (CID 21106014) is 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid is CN(CCN(CC(=O)O)C(=O)Cn1ccc(N)nc1=O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid?
The InChIKey is LUDBANXSRAUAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O6/c1-16(2,3)27-15(26)19(4)7-8-20(10-13(23)24)12(22)9-21-6-5-11(17)18-14(21)25/h5-6H,7-10H2,1-4H3,(H,23,24)(H2,17,18,25).
What are the key properties of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid?
2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid has a molecular weight of 383.41 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 21106014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).