4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid

C11H15N3O3 — CID 56880977

IUPAC4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid
SMILESCc1c[nH]c(C(=O)N2CCNC(C(=O)O)C2)c1
InChIInChI=1S/C11H15N3O3/c1-7-4-8(13-5-7)10(15)14-3-2-12-9(6-14)11(16)17/h4-5,9,12-13H,2-3,6H2,1H3,(H,16,17)
InChIKeyUBUPALMYCMZKQF-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.18
Rot. Bonds2

About 4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid

4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid (PubChem CID 56880977) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid
PubChem CID56880977
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid
SMILESCc1c[nH]c(C(=O)N2CCNC(C(=O)O)C2)c1
InChIInChI=1S/C11H15N3O3/c1-7-4-8(13-5-7)10(15)14-3-2-12-9(6-14)11(16)17/h4-5,9,12-13H,2-3,6H2,1H3,(H,16,17)
InChIKeyUBUPALMYCMZKQF-UHFFFAOYSA-N
XLogP-0.18
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone
CID 65417892
(3S)-piperazine-1,3-dicarboxylic acid
CID 68637111
(2R)-4-(pyrazine-2-carbonyl)piperazine-2-carboxylic acid
CID 97169281
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70749250
(2S)-4-[2-(trifluoromethyl)benzoyl]piperazine-2-carboxylic acid
CID 95545201
1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119353613
3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 56911925
(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97176235
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 95555767
[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70758566
(2S)-4-[4-(trifluoromethoxy)benzoyl]piperazine-2-carboxylic acid
CID 138665349
4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 119580359

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid?
The IUPAC name of 4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid (CID 56880977) is 4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid is Cc1c[nH]c(C(=O)N2CCNC(C(=O)O)C2)c1.
What is the InChIKey of 4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid?
The InChIKey is UBUPALMYCMZKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-4-8(13-5-7)10(15)14-3-2-12-9(6-14)11(16)17/h4-5,9,12-13H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid?
4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 56880977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).