2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid

C11H20N2O3 — CID 106824270

IUPAC2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid
SMILESCOC1CC(N2CCN(CC(=O)O)CC2)C1
InChIInChI=1S/C11H20N2O3/c1-16-10-6-9(7-10)13-4-2-12(3-5-13)8-11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyPBPNQLXVQBJKMW-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.13
Rot. Bonds4

About 2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid

2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid (PubChem CID 106824270) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid
PubChem CID106824270
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid
SMILESCOC1CC(N2CCN(CC(=O)O)CC2)C1
InChIInChI=1S/C11H20N2O3/c1-16-10-6-9(7-10)13-4-2-12(3-5-13)8-11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyPBPNQLXVQBJKMW-UHFFFAOYSA-N
XLogP-0.13
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,10-bis(carboxymethyl)-7-(methoxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 90886776
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid
CID 121202197
ethane;2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 143494242
2-[4-[3-(2-methylpropyl)cyclohexyl]-1,4-diazepan-1-yl]acetic acid
CID 107430433
2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid
CID 106664199
2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 56946868
2-[4-(4-tert-butylcyclohexyl)-1,4-diazepan-1-yl]acetic acid
CID 65061452
4-fluoro-1-(3-methoxycyclobutyl)piperidine
CID 167217869
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid
CID 56716645
2-[7-(carboxymethyl)-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane
CID 169258644

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid (CID 106824270) is 2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid is COC1CC(N2CCN(CC(=O)O)CC2)C1.
What is the InChIKey of 2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid?
The InChIKey is PBPNQLXVQBJKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-16-10-6-9(7-10)13-4-2-12(3-5-13)8-11(14)15/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid?
2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 106824270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).