tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate

C16H30N2O5 — CID 178039786

IUPACtert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCOC(CN(C)C(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C)OC
InChIInChI=1S/C16H30N2O5/c1-16(2,3)23-15(20)17-12(9-11-7-8-11)14(19)18(4)10-13(21-5)22-6/h11-13H,7-10H2,1-6H3,(H,17,20)/t12-/m1/s1
InChIKeyQFPHBUDSQHMHME-GFCCVEGCSA-N
MW330.43 g/mol
LogP1.76
Rot. Bonds8

About tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 178039786) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID178039786
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Nametert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCOC(CN(C)C(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C)OC
InChIInChI=1S/C16H30N2O5/c1-16(2,3)23-15(20)17-12(9-11-7-8-11)14(19)18(4)10-13(21-5)22-6/h11-13H,7-10H2,1-6H3,(H,17,20)/t12-/m1/s1
InChIKeyQFPHBUDSQHMHME-GFCCVEGCSA-N
XLogP1.76
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-cyclobutyl-1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 58987170
tert-butyl (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101268797
(2S)-3-(4-methoxycyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 177043303
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
methyl (2S)-3-(4,4-difluorocyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 59382883
methyl 3-(3,3-dimethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 163244794
N-cyclohexylcyclohexanamine;3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 53398052
tert-butyl N-[(2R)-3-cyclohexyl-1-[(4-methoxycyclohexyl)methyl-methylsulfanylamino]-1-oxopropan-2-yl]carbamate
CID 87823658
tert-butyl N-[(2S)-4-chloro-1-cyclohexyl-3-oxobutan-2-yl]carbamate
CID 10063585
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoate
CID 7168105
tert-butyl N-(1-cyano-3-cyclobutyl-1-oxopropan-2-yl)carbamate
CID 59789472

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate (CID 178039786) is tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate is COC(CN(C)C(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C)OC.
What is the InChIKey of tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is QFPHBUDSQHMHME-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-16(2,3)23-15(20)17-12(9-11-7-8-11)14(19)18(4)10-13(21-5)22-6/h11-13H,7-10H2,1-6H3,(H,17,20)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 330.43 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-cyclopropyl-1-[2,2-dimethoxyethyl(methyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 178039786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).