2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid

C15H26N2O2 — CID 83997306

IUPAC2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
SMILESO=C(O)CC1CC(NCC2CCC2)CN(C2CC2)C1
InChIInChI=1S/C15H26N2O2/c18-15(19)7-12-6-13(16-8-11-2-1-3-11)10-17(9-12)14-4-5-14/h11-14,16H,1-10H2,(H,18,19)
InChIKeyQOTVUJOLOHPZTJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.70
Rot. Bonds6

About 2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid

2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid (PubChem CID 83997306) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
PubChem CID83997306
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
SMILESO=C(O)CC1CC(NCC2CCC2)CN(C2CC2)C1
InChIInChI=1S/C15H26N2O2/c18-15(19)7-12-6-13(16-8-11-2-1-3-11)10-17(9-12)14-4-5-14/h11-14,16H,1-10H2,(H,18,19)
InChIKeyQOTVUJOLOHPZTJ-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid
CID 83990535
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723
2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid
CID 83998054
2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992463
2-[1-cyclobutyl-5-(cyclobutylmethylamino)piperidin-3-yl]ethanol
CID 83997337
1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid
CID 83997980
2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
CID 83998068
ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate
CID 83996617
2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid
CID 83993142
5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
CID 83998672
2-[1-cyclopentyl-5-(cyclopropylamino)piperidin-3-yl]acetic acid
CID 83991764

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid (CID 83997306) is 2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid is O=C(O)CC1CC(NCC2CCC2)CN(C2CC2)C1.
What is the InChIKey of 2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid?
The InChIKey is QOTVUJOLOHPZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(19)7-12-6-13(16-8-11-2-1-3-11)10-17(9-12)14-4-5-14/h11-14,16H,1-10H2,(H,18,19).
What are the key properties of 2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid?
2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid has a molecular weight of 266.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 83997306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).