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

C15H23N5O6 — CID 10316997

IUPAC2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C15H23N5O6/c1-15(2,3)26-14(25)17-5-7-19(9-12(22)23)11(21)8-20-6-4-10(16)18-13(20)24/h4,6H,5,7-9H2,1-3H3,(H,17,25)(H,22,23)(H2,16,18,24)
InChIKeyWGHBITWUTZTMNJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP-0.74
Rot. Bonds7

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

2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid (PubChem CID 10316997) has the molecular formula C15H23N5O6 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
PubChem CID10316997
Molecular FormulaC15H23N5O6
Molecular Weight369.38 g/mol
Exact Mass369.16
IUPAC Name2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C15H23N5O6/c1-15(2,3)26-14(25)17-5-7-19(9-12(22)23)11(21)8-20-6-4-10(16)18-13(20)24/h4,6H,5,7-9H2,1-3H3,(H,17,25)(H,22,23)(H2,16,18,24)
InChIKeyWGHBITWUTZTMNJ-UHFFFAOYSA-N
XLogP-0.74
TPSA156.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid (CID 10316997) is 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid is CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)Cn1ccc(N)nc1=O.
What is the InChIKey of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid?
The InChIKey is WGHBITWUTZTMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O6/c1-15(2,3)26-14(25)17-5-7-19(9-12(22)23)11(21)8-20-6-4-10(16)18-13(20)24/h4,6H,5,7-9H2,1-3H3,(H,17,25)(H,22,23)(H2,16,18,24).
What are the key properties of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid?
2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid has a molecular weight of 369.38 g/mol, XLogP of -0.74, 7 rotatable bonds, 3 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-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid is sourced from PubChem (CID 10316997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).