tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate

C18H35N3O3 — CID 66566359

IUPACtert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate
SMILESCCN(CC1CCN(C(=O)[C@@H](N)C(C)C)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H35N3O3/c1-7-20(17(23)24-18(4,5)6)12-14-8-10-21(11-9-14)16(22)15(19)13(2)3/h13-15H,7-12,19H2,1-6H3/t15-/m0/s1
InChIKeyBSSRLKLFAYPCEP-HNNXBMFYSA-N
MW341.50 g/mol
LogP2.47
Rot. Bonds5

About tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate

tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate (PubChem CID 66566359) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate
PubChem CID66566359
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Nametert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate
SMILESCCN(CC1CCN(C(=O)[C@@H](N)C(C)C)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H35N3O3/c1-7-20(17(23)24-18(4,5)6)12-14-8-10-21(11-9-14)16(22)15(19)13(2)3/h13-15H,7-12,19H2,1-6H3/t15-/m0/s1
InChIKeyBSSRLKLFAYPCEP-HNNXBMFYSA-N
XLogP2.47
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate with MolForge

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Related Compounds

tert-butyl (3R)-3-[[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]methyl]pyrrolidine-1-carboxylate
CID 96552220
(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
tert-butyl N-[[1-(2-amino-3-methylbutanoyl)piperidin-4-yl]methyl]carbamate
CID 77144000
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]carbamate
CID 66566330
tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 66566278
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566373
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 66566388
tert-butyl N-cyclopropyl-N-[4-[[1-[(2S)-2,4-diamino-4-oxobutanoyl]piperidin-4-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate
CID 139906782
2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one
CID 169182421
tert-butyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 66566264
tert-butyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 96553688
tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate
CID 57060763

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate (CID 66566359) is tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate is CCN(CC1CCN(C(=O)[C@@H](N)C(C)C)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate?
The InChIKey is BSSRLKLFAYPCEP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-7-20(17(23)24-18(4,5)6)12-14-8-10-21(11-9-14)16(22)15(19)13(2)3/h13-15H,7-12,19H2,1-6H3/t15-/m0/s1.
What are the key properties of tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate?
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate has a molecular weight of 341.50 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 66566359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).