2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid

C19H35N3O3 — CID 122006152

IUPAC2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)NCC2(CC(C)C)CCC2)CC1
InChIInChI=1S/C19H35N3O3/c1-4-21(13-17(23)24)16-6-10-22(11-7-16)18(25)20-14-19(8-5-9-19)12-15(2)3/h15-16H,4-14H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyVSLBEZDTNNGXIA-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.78
Rot. Bonds8

About 2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122006152) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid
PubChem CID122006152
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)NCC2(CC(C)C)CCC2)CC1
InChIInChI=1S/C19H35N3O3/c1-4-21(13-17(23)24)16-6-10-22(11-7-16)18(25)20-14-19(8-5-9-19)12-15(2)3/h15-16H,4-14H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyVSLBEZDTNNGXIA-UHFFFAOYSA-N
XLogP2.78
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid
CID 122012578
2-[methyl-[[4-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122006153
2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122001416
2-[[1-(2-bicyclo[2.2.2]oct-5-enylmethylcarbamoyl)piperidin-4-yl]-ethylamino]acetic acid
CID 122124203
2-[ethyl-[3-[[2-methyl-2-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026472
2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81162804
2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122005078
2-[ethyl-[1-[2-(3,3,5-trimethylcyclohexyl)ethylcarbamoyl]piperidin-4-yl]amino]acetic acid
CID 122011937
2-[methyl-[1-[(1-methylcycloheptyl)methylcarbamoyl]azepan-4-yl]amino]acetic acid
CID 122009154
2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025331
2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81156098
2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122009847

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid (CID 122006152) is 2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(C(=O)NCC2(CC(C)C)CCC2)CC1.
What is the InChIKey of 2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is VSLBEZDTNNGXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-4-21(13-17(23)24)16-6-10-22(11-7-16)18(25)20-14-19(8-5-9-19)12-15(2)3/h15-16H,4-14H2,1-3H3,(H,20,25)(H,23,24).
What are the key properties of 2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 353.51 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122006152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).