2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid

C12H22N2O2 — CID 83991921

IUPAC2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid
SMILESCCC1CC(NC2CC2)CN(CC(=O)O)C1
InChIInChI=1S/C12H22N2O2/c1-2-9-5-11(13-10-3-4-10)7-14(6-9)8-12(15)16/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyYXHWFVJBDMDYAO-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.92
Rot. Bonds5

About 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid

2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid (PubChem CID 83991921) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid
PubChem CID83991921
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid
SMILESCCC1CC(NC2CC2)CN(CC(=O)O)C1
InChIInChI=1S/C12H22N2O2/c1-2-9-5-11(13-10-3-4-10)7-14(6-9)8-12(15)16/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyYXHWFVJBDMDYAO-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
ethyl 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetate
CID 83991946
2-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]acetamide
CID 83991982
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991990
2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid
CID 83991919
2-[4-(cyclopropylamino)piperidin-1-yl]acetic acid
CID 145176317
2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid
CID 83990025
3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83999059
2-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]acetamide
CID 83999592
2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 112544134
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid (CID 83991921) is 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid is CCC1CC(NC2CC2)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid?
The InChIKey is YXHWFVJBDMDYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-9-5-11(13-10-3-4-10)7-14(6-9)8-12(15)16/h9-11,13H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid?
2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid has a molecular weight of 226.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid is sourced from PubChem (CID 83991921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).