2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid

C17H30N2O2 — CID 83998068

IUPAC2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CC(NCC2CCCC2)CN(CC2CC2)C1
InChIInChI=1S/C17H30N2O2/c20-17(21)8-15-7-16(18-9-13-3-1-2-4-13)12-19(11-15)10-14-5-6-14/h13-16,18H,1-12H2,(H,20,21)
InChIKeySJGNNXWEEMBCDB-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.34
Rot. Bonds7

About 2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid

2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid (PubChem CID 83998068) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
PubChem CID83998068
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CC(NCC2CCCC2)CN(CC2CC2)C1
InChIInChI=1S/C17H30N2O2/c20-17(21)8-15-7-16(18-9-13-3-1-2-4-13)12-19(11-15)10-14-5-6-14/h13-16,18H,1-12H2,(H,20,21)
InChIKeySJGNNXWEEMBCDB-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 83998065
2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83989945
2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid
CID 83997711
2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
CID 83996220
2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
CID 83995994
2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
CID 83997306
N-(cyclobutylmethyl)-1-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83997430
N,1,5-tris(cyclopropylmethyl)piperidin-3-amine
CID 83996680
2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid
CID 83998054
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate
CID 83990573
ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
CID 83998366

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid (CID 83998068) is 2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid is O=C(O)CC1CC(NCC2CCCC2)CN(CC2CC2)C1.
What is the InChIKey of 2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid?
The InChIKey is SJGNNXWEEMBCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-17(21)8-15-7-16(18-9-13-3-1-2-4-13)12-19(11-15)10-14-5-6-14/h13-16,18H,1-12H2,(H,20,21).
What are the key properties of 2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid?
2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid has a molecular weight of 294.44 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 83998068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).