3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid

C14H27N3O2 — CID 82892628

IUPAC3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid
SMILESCN1CCN(CCN2CCC(CCC(=O)O)C2)CC1
InChIInChI=1S/C14H27N3O2/c1-15-6-8-16(9-7-15)10-11-17-5-4-13(12-17)2-3-14(18)19/h13H,2-12H2,1H3,(H,18,19)
InChIKeyQWCDPIRZHQHLEF-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.42
Rot. Bonds6

About 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid

3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid (PubChem CID 82892628) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid
PubChem CID82892628
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid
SMILESCN1CCN(CCN2CCC(CCC(=O)O)C2)CC1
InChIInChI=1S/C14H27N3O2/c1-15-6-8-16(9-7-15)10-11-17-5-4-13(12-17)2-3-14(18)19/h13H,2-12H2,1H3,(H,18,19)
InChIKeyQWCDPIRZHQHLEF-UHFFFAOYSA-N
XLogP0.42
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid
CID 82892323
10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid
CID 150496556
3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
CID 114191537
3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 82907483
3-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]propanoic acid
CID 79356125
3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid
CID 82838620
1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one
CID 167480070
3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
CID 62627528
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid
CID 23301332
3-(4-amino-1-methylpyrrolidin-3-yl)propanoic acid
CID 105435135
3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
CID 90457179

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid (CID 82892628) is 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid is CN1CCN(CCN2CCC(CCC(=O)O)C2)CC1.
What is the InChIKey of 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid?
The InChIKey is QWCDPIRZHQHLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-15-6-8-16(9-7-15)10-11-17-5-4-13(12-17)2-3-14(18)19/h13H,2-12H2,1H3,(H,18,19).
What are the key properties of 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid?
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid has a molecular weight of 269.39 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 82892628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).