2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid

C21H30N2O2 — CID 118297913

IUPAC2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(N2CCC(CN[C@@H]3CC3c3ccccc3)CC2)CCC1
InChIInChI=1S/C21H30N2O2/c24-20(25)14-21(9-4-10-21)23-11-7-16(8-12-23)15-22-19-13-18(19)17-5-2-1-3-6-17/h1-3,5-6,16,18-19,22H,4,7-15H2,(H,24,25)/t18?,19-/m1/s1
InChIKeyATMPNNXKBAQDJV-MUMRKEEXSA-N
MW342.48 g/mol
LogP3.24
Rot. Bonds7

About 2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid

2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid (PubChem CID 118297913) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
PubChem CID118297913
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(N2CCC(CN[C@@H]3CC3c3ccccc3)CC2)CCC1
InChIInChI=1S/C21H30N2O2/c24-20(25)14-21(9-4-10-21)23-11-7-16(8-12-23)15-22-19-13-18(19)17-5-2-1-3-6-17/h1-3,5-6,16,18-19,22H,4,7-15H2,(H,24,25)/t18?,19-/m1/s1
InChIKeyATMPNNXKBAQDJV-MUMRKEEXSA-N
XLogP3.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Piperidineacetic acid, alpha-phenyl-
CID 86863
2-[3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(3,3,3-trifluoropropyl)azetidin-3-yl]acetic acid
CID 118292440
Incb-059872
CID 118290753
US9994546, Example 53
CID 118297854
US9994546, Example 130
CID 118297937
US9670210, Example 63 1-{[4-({[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino}methyl)-4-(methoxymethyl)piperidin-1-yl]methyl}cyclobutanecarboxylic acid
CID 118302748
US9670210, Example 32 1-{[4-(4-fluorobenzyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]methyl}cyclobutanecarboxylic acid
CID 118302792
US9670210, Example 65 1-{[4-({[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino}methyl)-4-(methoxymethyl)piperidin-1-yl]methyl}cyclobutanecarboxylic acid
CID 118302795
US9670210, Example 64 1-{[4-({[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]amino}methyl)-4-(methoxymethyl)piperidin-1-yl]methyl}cyclobutanecarboxylic acid
CID 118302840
US10300051, Example 8
CID 118302891
US10300051, Example 17
CID 118302892
US10300051, Example 16
CID 118302927

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid (CID 118297913) is 2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid is O=C(O)CC1(N2CCC(CN[C@@H]3CC3c3ccccc3)CC2)CCC1.
What is the InChIKey of 2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid?
The InChIKey is ATMPNNXKBAQDJV-MUMRKEEXSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(25)14-21(9-4-10-21)23-11-7-16(8-12-23)15-22-19-13-18(19)17-5-2-1-3-6-17/h1-3,5-6,16,18-19,22H,4,7-15H2,(H,24,25)/t18?,19-/m1/s1.
What are the key properties of 2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid?
2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid has a molecular weight of 342.48 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid is sourced from PubChem (CID 118297913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).