tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate

C16H29N3O3 — CID 66566246

IUPACtert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CC1)C1CCCCC1NC(=O)CN
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19(11-8-9-11)13-7-5-4-6-12(13)18-14(20)10-17/h11-13H,4-10,17H2,1-3H3,(H,18,20)
InChIKeyXBCZCPFWDWBVTK-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.77
Rot. Bonds4

About tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate

tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate (PubChem CID 66566246) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate
PubChem CID66566246
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CC1)C1CCCCC1NC(=O)CN
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19(11-8-9-11)13-7-5-4-6-12(13)18-14(20)10-17/h11-13H,4-10,17H2,1-3H3,(H,18,20)
InChIKeyXBCZCPFWDWBVTK-UHFFFAOYSA-N
XLogP1.77
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate
CID 96553779
N-[(1S,2S)-2-[acetyl(ethyl)amino]cyclohexyl]-2-aminoacetamide
CID 96554534
N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide
CID 96554525
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide
CID 96554848
tert-butyl N-[(1S,2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-ethylcarbamate
CID 96553762
tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate
CID 50987788
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 135076172
2-amino-N-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 124526892
tert-butyl N-[(1S,2R)-2-[(2-chloroacetyl)-ethylamino]cyclohexyl]carbamate
CID 96552507
2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 96554230

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate (CID 66566246) is tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate is CC(C)(C)OC(=O)N(C1CC1)C1CCCCC1NC(=O)CN.
What is the InChIKey of tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate?
The InChIKey is XBCZCPFWDWBVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19(11-8-9-11)13-7-5-4-6-12(13)18-14(20)10-17/h11-13H,4-10,17H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate?
tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate has a molecular weight of 311.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 66566246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).