1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid

C11H14N4O4 — CID 66284509

IUPAC1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESCOC(=O)c1nccc(N2CCNCC2C(=O)O)n1
InChIInChI=1S/C11H14N4O4/c1-19-11(18)9-13-3-2-8(14-9)15-5-4-12-6-7(15)10(16)17/h2-3,7,12H,4-6H2,1H3,(H,16,17)
InChIKeyDHNSTOZKAVYTCA-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.87
Rot. Bonds3

About 1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid

1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid (PubChem CID 66284509) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid
PubChem CID66284509
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESCOC(=O)c1nccc(N2CCNCC2C(=O)O)n1
InChIInChI=1S/C11H14N4O4/c1-19-11(18)9-13-3-2-8(14-9)15-5-4-12-6-7(15)10(16)17/h2-3,7,12H,4-6H2,1H3,(H,16,17)
InChIKeyDHNSTOZKAVYTCA-UHFFFAOYSA-N
XLogP-0.87
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxycarbonylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290681
methyl 4-[4-(azetidin-3-yl)piperazin-1-yl]pyrimidine-2-carboxylate
CID 66287130
methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate
CID 66284729
1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 106504446
1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride
CID 71639214
(2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid
CID 97055411
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
(2S)-1-(4-chloropyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97166480
methyl 4-(3,3-dimethylpiperazin-1-yl)pyrimidine-2-carboxylate
CID 82993874
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 97162747
1-(4-propoxypyrimidin-2-yl)piperazine-2-carboxylic acid
CID 112638719
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
CID 115307635

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid (CID 66284509) is 1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid is COC(=O)c1nccc(N2CCNCC2C(=O)O)n1.
What is the InChIKey of 1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid?
The InChIKey is DHNSTOZKAVYTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-19-11(18)9-13-3-2-8(14-9)15-5-4-12-6-7(15)10(16)17/h2-3,7,12H,4-6H2,1H3,(H,16,17).
What are the key properties of 1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid?
1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 66284509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).