2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid

C10H13N3O4 — CID 136959215

IUPAC2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(c2cc(=O)[nH]cn2)CCO1
InChIInChI=1S/C10H13N3O4/c14-9-4-8(11-6-12-9)13-1-2-17-7(5-13)3-10(15)16/h4,6-7H,1-3,5H2,(H,15,16)(H,11,12,14)
InChIKeyBGKFZMKHHSEGSH-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.55
Rot. Bonds3

About 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid

2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid (PubChem CID 136959215) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
PubChem CID136959215
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(c2cc(=O)[nH]cn2)CCO1
InChIInChI=1S/C10H13N3O4/c14-9-4-8(11-6-12-9)13-1-2-17-7(5-13)3-10(15)16/h4,6-7H,1-3,5H2,(H,15,16)(H,11,12,14)
InChIKeyBGKFZMKHHSEGSH-UHFFFAOYSA-N
XLogP-0.55
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845289
3-methoxy-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845292
3-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxypropanoic acid
CID 136958932
4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959132
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959214
2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959216
2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959217
2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959218
2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959219
3-ethoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136980150
methyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
CID 136989711
methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
CID 136989712

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid (CID 136959215) is 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(c2cc(=O)[nH]cn2)CCO1.
What is the InChIKey of 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
The InChIKey is BGKFZMKHHSEGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-9-4-8(11-6-12-9)13-1-2-17-7(5-13)3-10(15)16/h4,6-7H,1-3,5H2,(H,15,16)(H,11,12,14).
What are the key properties of 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid has a molecular weight of 239.23 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 136959215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).