2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid

C20H30ClN3O2 — CID 122042708

IUPAC2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC2CCN(Cc3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H30ClN3O2/c1-2-24(14-20(25)26)18-11-17(12-18)22-16-7-9-23(10-8-16)13-15-5-3-4-6-19(15)21/h3-6,16-18,22H,2,7-14H2,1H3,(H,25,26)
InChIKeyIJIAACQPFRXJFV-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.83
Rot. Bonds8

About 2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122042708) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122042708
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC2CCN(Cc3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H30ClN3O2/c1-2-24(14-20(25)26)18-11-17(12-18)22-16-7-9-23(10-8-16)13-15-5-3-4-6-19(15)21/h3-6,16-18,22H,2,7-14H2,1H3,(H,25,26)
InChIKeyIJIAACQPFRXJFV-UHFFFAOYSA-N
XLogP2.83
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[[3-[(1-benzyl-2-methylpiperidin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042697
2-[ethyl-[3-[(4-methyl-4-phenylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122042745
2-[[3-[(2-chloro-6-ethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042412
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[[3-[(1-benzylpyrrolidin-3-yl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122012449
2-[[1-(1-benzofuran-7-ylmethyl)piperidin-4-yl]-ethylamino]acetic acid
CID 122043096
N-benzyl-1-[(2-chlorophenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 17369338
2-[[3-[(3-chloro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062041
1-[(2-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 5024402
(2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid
CID 122044845
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
2-[[3-[3-(2,6-dichlorophenyl)propylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042418

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid (CID 122042708) is 2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC2CCN(Cc3ccccc3Cl)CC2)C1.
What is the InChIKey of 2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is IJIAACQPFRXJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-2-24(14-20(25)26)18-11-17(12-18)22-16-7-9-23(10-8-16)13-15-5-3-4-6-19(15)21/h3-6,16-18,22H,2,7-14H2,1H3,(H,25,26).
What are the key properties of 2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 379.93 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122042708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).