2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid

C12H22N2O2 — CID 43774232

IUPAC2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid
SMILESCC(C)=CCN1CCC(NCC(=O)O)CC1
InChIInChI=1S/C12H22N2O2/c1-10(2)3-6-14-7-4-11(5-8-14)13-9-12(15)16/h3,11,13H,4-9H2,1-2H3,(H,15,16)
InChIKeyKKIHYNJBPZUEJP-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.09
Rot. Bonds5

About 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid

2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid (PubChem CID 43774232) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid
PubChem CID43774232
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid
SMILESCC(C)=CCN1CCC(NCC(=O)O)CC1
InChIInChI=1S/C12H22N2O2/c1-10(2)3-6-14-7-4-11(5-8-14)13-9-12(15)16/h3,11,13H,4-9H2,1-2H3,(H,15,16)
InChIKeyKKIHYNJBPZUEJP-UHFFFAOYSA-N
XLogP1.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1-Methyl-piperidin-4-ylamino)-acetic acid
CID 3157474
2-[Piperidin-4-yl(propan-2-yl)amino]acetic acid
CID 22394424
2-[(1-Propylpiperidin-4-yl)amino]acetic acid
CID 43135206
2-[(1-Propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 43135209
N-methyl-N-piperidin-4-ylglycine dihydrochloride
CID 43607744
2-[Ethyl(piperidin-4-yl)amino]acetic acid
CID 53679303
2-[4-(Tert-butylamino)piperidin-1-yl]acetic acid
CID 60147163
2-[4-(2-Methylprop-2-enoylamino)piperidin-1-yl]acetic acid
CID 67045024
2-[4-(Methylamino)piperidin-1-yl]acetic acid
CID 68249748
2-[4-(Ethylamino)piperidin-1-yl]acetic acid
CID 89173008
2-[(1-Tert-butylpiperidin-4-yl)amino]acetic acid
CID 117684811
2-[4-(Propylamino)piperidin-1-yl]acetic acid
CID 124082737

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid (CID 43774232) is 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid is CC(C)=CCN1CCC(NCC(=O)O)CC1.
What is the InChIKey of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid?
The InChIKey is KKIHYNJBPZUEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)3-6-14-7-4-11(5-8-14)13-9-12(15)16/h3,11,13H,4-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid?
2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid has a molecular weight of 226.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 43774232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).