tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate

C18H35N3O3 — CID 66564191

IUPACtert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate
SMILESCCN(C(=O)[C@@H](N)C(C)C)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H35N3O3/c1-7-21(16(22)15(19)12(2)3)14-10-8-13(9-11-14)20-17(23)24-18(4,5)6/h12-15H,7-11,19H2,1-6H3,(H,20,23)/t13?,14?,15-/m0/s1
InChIKeyYFYHYUKXLLZXMH-NRXISQOPSA-N
MW341.50 g/mol
LogP2.65
Rot. Bonds5

About tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate

tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate (PubChem CID 66564191) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate
PubChem CID66564191
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Nametert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate
SMILESCCN(C(=O)[C@@H](N)C(C)C)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H35N3O3/c1-7-21(16(22)15(19)12(2)3)14-10-8-13(9-11-14)20-17(23)24-18(4,5)6/h12-15H,7-11,19H2,1-6H3,(H,20,23)/t13?,14?,15-/m0/s1
InChIKeyYFYHYUKXLLZXMH-NRXISQOPSA-N
XLogP2.65
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[(2-chloroacetyl)-ethylamino]cyclohexyl]carbamate
CID 66564667
2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride
CID 56831854
tert-butyl N-[4-[carbamothioyl(methyl)amino]cyclohexyl]carbamate
CID 141083473
tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate
CID 77143621
ethyl (3S)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoate
CID 169159887
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
(2R)-2-amino-N-cyclopropyl-3-methyl-N-propylbutanamide
CID 79011597
tert-butyl N-[(1S,2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-ethylcarbamate
CID 96553762
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
2-amino-N-cyclopropyl-N-ethylpropanamide
CID 43264257
tert-butyl N-[4-[2-[ethyl(methyl)amino]ethylamino]cyclohexyl]carbamate
CID 79114724

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate (CID 66564191) is tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate is CCN(C(=O)[C@@H](N)C(C)C)C1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate?
The InChIKey is YFYHYUKXLLZXMH-NRXISQOPSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-7-21(16(22)15(19)12(2)3)14-10-8-13(9-11-14)20-17(23)24-18(4,5)6/h12-15H,7-11,19H2,1-6H3,(H,20,23)/t13?,14?,15-/m0/s1.
What are the key properties of tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate has a molecular weight of 341.50 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 66564191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).