2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid

C20H29N3O3 — CID 122025635

IUPAC2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N2CCCCC2c2ccccc2)C1
InChIInChI=1S/C20H29N3O3/c1-2-22(14-19(24)25)17-12-16(13-17)21-20(26)23-11-7-6-10-18(23)15-8-4-3-5-9-15/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3,(H,21,26)(H,24,25)
InChIKeyXKCXFZOLBSZGNW-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.86
Rot. Bonds6

About 2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid (PubChem CID 122025635) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
PubChem CID122025635
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N2CCCCC2c2ccccc2)C1
InChIInChI=1S/C20H29N3O3/c1-2-22(14-19(24)25)17-12-16(13-17)21-20(26)23-11-7-6-10-18(23)15-8-4-3-5-9-15/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3,(H,21,26)(H,24,25)
InChIKeyXKCXFZOLBSZGNW-UHFFFAOYSA-N
XLogP2.86
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[3-(2,4,5,6-tetrahydro-1H-3-benzazocine-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 122026459
2-[ethyl-[3-[[2-(3-fluorophenyl)-3-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026347
2-[[3-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122026644
2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026790
2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025640
2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026142
2-[[3-(1,4-diazabicyclo[3.2.2]nonane-4-carbonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122025917
2-[ethyl-[3-[[4-(2-phenylethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026996
2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
2-[[3-[(4-cyclopentyloxypiperidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026751
2-[[3-[(3-cyclopropylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025748
2-[ethyl-[3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122027069

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid (CID 122025635) is 2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N2CCCCC2c2ccccc2)C1.
What is the InChIKey of 2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is XKCXFZOLBSZGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-22(14-19(24)25)17-12-16(13-17)21-20(26)23-11-7-6-10-18(23)15-8-4-3-5-9-15/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 359.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122025635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).