2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid

C12H24N2O2 — CID 60840141

IUPAC2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CCN1CCCCC1)CC(=O)O
InChIInChI=1S/C12H24N2O2/c1-11(2)14(10-12(15)16)9-8-13-6-4-3-5-7-13/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyKASDBSDLVSHMBI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.27
Rot. Bonds6

About 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid

2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid (PubChem CID 60840141) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid
PubChem CID60840141
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CCN1CCCCC1)CC(=O)O
InChIInChI=1S/C12H24N2O2/c1-11(2)14(10-12(15)16)9-8-13-6-4-3-5-7-13/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyKASDBSDLVSHMBI-UHFFFAOYSA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate
CID 62027944
2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
CID 60838965
2-[propan-2-yl(3-pyrrolidin-1-ylpropylcarbamoyl)amino]acetic acid
CID 62992655
N-[2-(azepan-1-yl)ethyl]-2-ethylsulfonyl-N-propan-2-ylpropanamide
CID 50976219
3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
CID 79395842
4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
CID 54925850
2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 63208770
2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid
CID 79275387
1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
CID 60696591
ethyl 2-[2-morpholin-4-ylethyl(propan-2-yl)amino]acetate
CID 62027191
2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
CID 60832959
4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 126797416

Frequently Asked Questions

What is the IUPAC name of 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid (CID 60840141) is 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid is CC(C)N(CCN1CCCCC1)CC(=O)O.
What is the InChIKey of 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid?
The InChIKey is KASDBSDLVSHMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2)14(10-12(15)16)9-8-13-6-4-3-5-7-13/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid?
2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid has a molecular weight of 228.34 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 60840141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).