2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid

C12H22N2O3 — CID 55091476

IUPAC2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H22N2O3/c1-10(12(15)16)14-6-4-13(5-7-14)9-11-3-2-8-17-11/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyOFVGYCBXRZJTNP-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.26
Rot. Bonds4

About 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid

2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid (PubChem CID 55091476) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
PubChem CID55091476
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H22N2O3/c1-10(12(15)16)14-6-4-13(5-7-14)9-11-3-2-8-17-11/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyOFVGYCBXRZJTNP-UHFFFAOYSA-N
XLogP0.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 67009184
2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 102899178
(2S)-N-(4-bromophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
CID 9461108
(2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
CID 9461104
(2S)-2-methyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 94811730
(2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
CID 9322199
N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104298
2-bromo-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 114014436
(2R)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 9466788
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid (CID 55091476) is 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid?
The InChIKey is OFVGYCBXRZJTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(12(15)16)14-6-4-13(5-7-14)9-11-3-2-8-17-11/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid?
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 55091476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).