2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid

C11H17N5O5 — CID 174229831

IUPAC2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESNc1ccn(CC(=O)N(CC(=O)O)CC(N)CO)c(=O)n1
InChIInChI=1S/C11H17N5O5/c12-7(6-17)3-16(5-10(19)20)9(18)4-15-2-1-8(13)14-11(15)21/h1-2,7,17H,3-6,12H2,(H,19,20)(H2,13,14,21)
InChIKeyFMPOKHFFIHRQJH-UHFFFAOYSA-N
MW299.29 g/mol
LogP-2.94
Rot. Bonds7

About 2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid

2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 174229831) has the molecular formula C11H17N5O5 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
PubChem CID174229831
Molecular FormulaC11H17N5O5
Molecular Weight299.29 g/mol
Exact Mass299.12
IUPAC Name2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESNc1ccn(CC(=O)N(CC(=O)O)CC(N)CO)c(=O)n1
InChIInChI=1S/C11H17N5O5/c12-7(6-17)3-16(5-10(19)20)9(18)4-15-2-1-8(13)14-11(15)21/h1-2,7,17H,3-6,12H2,(H,19,20)(H2,13,14,21)
InChIKeyFMPOKHFFIHRQJH-UHFFFAOYSA-N
XLogP-2.94
TPSA164.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-2.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 174229831) is 2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is Nc1ccn(CC(=O)N(CC(=O)O)CC(N)CO)c(=O)n1.
What is the InChIKey of 2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is FMPOKHFFIHRQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O5/c12-7(6-17)3-16(5-10(19)20)9(18)4-15-2-1-8(13)14-11(15)21/h1-2,7,17H,3-6,12H2,(H,19,20)(H2,13,14,21).
What are the key properties of 2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 299.29 g/mol, XLogP of -2.94, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-hydroxypropyl)-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 174229831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).