2-[(1-ethylpiperidin-4-yl)amino]acetic acid

C9H18N2O2 — CID 43135208

IUPAC2-[(1-ethylpiperidin-4-yl)amino]acetic acid
SMILESCCN1CCC(NCC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-2-11-5-3-8(4-6-11)10-7-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyFTZWAQOPPHOOEF-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.14
Rot. Bonds4

About 2-[(1-ethylpiperidin-4-yl)amino]acetic acid

2-[(1-ethylpiperidin-4-yl)amino]acetic acid (PubChem CID 43135208) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-4-yl)amino]acetic acid
PubChem CID43135208
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[(1-ethylpiperidin-4-yl)amino]acetic acid
SMILESCCN1CCC(NCC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-2-11-5-3-8(4-6-11)10-7-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyFTZWAQOPPHOOEF-UHFFFAOYSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[methyl(piperidin-4-yl)amino]acetate dihydrochloride
CID 22378095
Methyl (4-amino-1-piperidinyl)acetate dihydrochloride
CID 44120477
(4-Aminopiperidin-1-yl)acetic acid
CID 16765334
2-[(Piperidin-4-yl)amino]acetic acid dihydrochloride
CID 75415922
2-(4-(Dimethylamino)piperidin-1-yl)acetic acid dihydrochloride
CID 138987471
4-Aminocyclohexylglycine
CID 17919702
N-Piperidin-4-ylglycine
CID 18757250
3-Piperidylglycine
CID 54072964
(2S)-2-(piperidin-4-ylamino)propanoic acid
CID 54248522
Methyl 2-(4-aminopiperidin-1-yl)acetate
CID 11435206
N,N-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 18917555
(4-Dimethylamino-piperidin-1-yl)-acetic acid
CID 43586193

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(1-ethylpiperidin-4-yl)amino]acetic acid (CID 43135208) is 2-[(1-ethylpiperidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-ethylpiperidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-ethylpiperidin-4-yl)amino]acetic acid is CCN1CCC(NCC(=O)O)CC1.
What is the InChIKey of 2-[(1-ethylpiperidin-4-yl)amino]acetic acid?
The InChIKey is FTZWAQOPPHOOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-11-5-3-8(4-6-11)10-7-9(12)13/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-[(1-ethylpiperidin-4-yl)amino]acetic acid?
2-[(1-ethylpiperidin-4-yl)amino]acetic acid has a molecular weight of 186.25 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-4-yl)amino]acetic acid is sourced from PubChem (CID 43135208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).