1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid

C10H18N4O3 — CID 83019522

IUPAC1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid
SMILESCN1CCN(NC(=O)N2CC(C(=O)O)C2)CC1
InChIInChI=1S/C10H18N4O3/c1-12-2-4-14(5-3-12)11-10(17)13-6-8(7-13)9(15)16/h8H,2-7H2,1H3,(H,11,17)(H,15,16)
InChIKeyGUXNRNPCDTYCGU-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.13
Rot. Bonds2

About 1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid

1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid (PubChem CID 83019522) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid
PubChem CID83019522
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid
SMILESCN1CCN(NC(=O)N2CC(C(=O)O)C2)CC1
InChIInChI=1S/C10H18N4O3/c1-12-2-4-14(5-3-12)11-10(17)13-6-8(7-13)9(15)16/h8H,2-7H2,1H3,(H,11,17)(H,15,16)
InChIKeyGUXNRNPCDTYCGU-UHFFFAOYSA-N
XLogP-1.13
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid (CID 83019522) is 1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid is CN1CCN(NC(=O)N2CC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid?
The InChIKey is GUXNRNPCDTYCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-12-2-4-14(5-3-12)11-10(17)13-6-8(7-13)9(15)16/h8H,2-7H2,1H3,(H,11,17)(H,15,16).
What are the key properties of 1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid?
1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 83019522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).