2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid

C10H13N3O3 — CID 83822984

IUPAC2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid
SMILESO=C(O)CN(c1cncnc1)C1CCOC1
InChIInChI=1S/C10H13N3O3/c14-10(15)5-13(8-1-2-16-6-8)9-3-11-7-12-4-9/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKeyDBXPHKLXVWIOJG-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.16
Rot. Bonds4

About 2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid

2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid (PubChem CID 83822984) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid
PubChem CID83822984
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid
SMILESO=C(O)CN(c1cncnc1)C1CCOC1
InChIInChI=1S/C10H13N3O3/c14-10(15)5-13(8-1-2-16-6-8)9-3-11-7-12-4-9/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKeyDBXPHKLXVWIOJG-UHFFFAOYSA-N
XLogP0.16
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-N-(oxolan-3-yl)anilino]acetic acid
CID 63562630
2-[carboxymethyl(oxolan-3-yl)amino]acetic acid
CID 63644632
N'-(oxan-4-yl)-N'-pyrimidin-5-ylethane-1,2-diamine
CID 83822883
2-[4-methyl-N-(oxepan-4-yl)anilino]acetic acid
CID 65080724
2-[2-methoxyethyl(oxolan-3-yl)amino]acetic acid
CID 63563211
2-[cyclopentyl(pyridin-3-yl)amino]acetic acid
CID 83822381
2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid
CID 83824916
2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid
CID 83837701
5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82748952
2-[cyclopropyl(pyrazin-2-yl)amino]acetic acid
CID 60838156
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid
CID 82731745

Frequently Asked Questions

What is the IUPAC name of 2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid?
The IUPAC name of 2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid (CID 83822984) is 2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid?
The canonical SMILES for 2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid is O=C(O)CN(c1cncnc1)C1CCOC1.
What is the InChIKey of 2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid?
The InChIKey is DBXPHKLXVWIOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-10(15)5-13(8-1-2-16-6-8)9-3-11-7-12-4-9/h3-4,7-8H,1-2,5-6H2,(H,14,15).
What are the key properties of 2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid?
2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxolan-3-yl(pyrimidin-5-yl)amino]acetic acid is sourced from PubChem (CID 83822984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).