3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid

C12H22N4O3 — CID 83019602

IUPAC3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid
SMILESCN1CCN(NC(=O)N(CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C12H22N4O3/c1-14-6-8-15(9-7-14)13-12(19)16(10-2-3-10)5-4-11(17)18/h10H,2-9H2,1H3,(H,13,19)(H,17,18)
InChIKeyHZUSJZFUTXFUIZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.20
Rot. Bonds5

About 3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid

3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid (PubChem CID 83019602) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid
PubChem CID83019602
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid
SMILESCN1CCN(NC(=O)N(CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C12H22N4O3/c1-14-6-8-15(9-7-14)13-12(19)16(10-2-3-10)5-4-11(17)18/h10H,2-9H2,1H3,(H,13,19)(H,17,18)
InChIKeyHZUSJZFUTXFUIZ-UHFFFAOYSA-N
XLogP-0.20
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(4-Methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 83018169
2-[Methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid
CID 83019514
1-[(4-Methylpiperazin-1-yl)carbamoyl]azetidine-3-carboxylic acid
CID 83019522
2-Methyl-3-[methyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid
CID 83019680
2-Methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83019681
4-[(4-Methylpiperazin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 83019682
3-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-methylamino]propanoic acid
CID 83019744
3-[Cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid
CID 83019747
2,2-Dimethyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83019756
3-[(4-Methylpiperazin-1-yl)carbamoylamino]butanoic acid
CID 83019757
3-[(4-Methylpiperazin-1-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 83019759
3-[Ethyl(piperidin-1-ylcarbamoyl)amino]butanoic acid
CID 83019897

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid (CID 83019602) is 3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid is CN1CCN(NC(=O)N(CCC(=O)O)C2CC2)CC1.
What is the InChIKey of 3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid?
The InChIKey is HZUSJZFUTXFUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-14-6-8-15(9-7-14)13-12(19)16(10-2-3-10)5-4-11(17)18/h10H,2-9H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 83019602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).