tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid

C19H36N2O6 — CID 68800624

IUPACtert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid
SMILESCC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCC1.O=C(O)O
InChIInChI=1S/C18H34N2O3.CH2O3/c1-17(2,3)12-14(20-16(22)23-18(4,5)6)15(21)19-13-10-8-7-9-11-13;2-1(3)4/h13-14H,7-12H2,1-6H3,(H,19,21)(H,20,22);(H2,2,3,4)/t14-;/m1./s1
InChIKeyNSIKDPZBOHMZQA-PFEQFJNWSA-N
MW388.51 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid

tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid (PubChem CID 68800624) has the molecular formula C19H36N2O6 and a molecular weight of 388.51 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid
PubChem CID68800624
Molecular FormulaC19H36N2O6
Molecular Weight388.51 g/mol
Exact Mass388.26
IUPAC Nametert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid
SMILESCC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCC1.O=C(O)O
InChIInChI=1S/C18H34N2O3.CH2O3/c1-17(2,3)12-14(20-16(22)23-18(4,5)6)15(21)19-13-10-8-7-9-11-13;2-1(3)4/h13-14H,7-12H2,1-6H3,(H,19,21)(H,20,22);(H2,2,3,4)/t14-;/m1./s1
InChIKeyNSIKDPZBOHMZQA-PFEQFJNWSA-N
XLogP3.99
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid with MolForge

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Related Compounds

tert-butyl N-[(2S)-3-cyano-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 135032048
tert-butyl N-[(2S)-1-(cycloheptylamino)-1-oxo-7-sulfanylheptan-2-yl]carbamate
CID 11844893
tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176
(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 7021114
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
CID 138109289
tert-butyl N-[1-(cyclobutylamino)-4-[iodo(dimethyl)-λ4-sulfanyl]-1-oxobutan-2-yl]carbamate
CID 176696272
2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid
CID 153047675
N-cyclohexylcyclohexanamine;3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 53398052
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
tert-butyl N-[1-(cyclohexylamino)-1-oxo-3-(3-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 19846235
(4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 59149356
tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate
CID 18049288

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid?
The IUPAC name of tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid (CID 68800624) is tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid.
What is the SMILES notation for tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid?
The canonical SMILES for tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid is CC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCC1.O=C(O)O.
What is the InChIKey of tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid?
The InChIKey is NSIKDPZBOHMZQA-PFEQFJNWSA-N. The full InChI is InChI=1S/C18H34N2O3.CH2O3/c1-17(2,3)12-14(20-16(22)23-18(4,5)6)15(21)19-13-10-8-7-9-11-13;2-1(3)4/h13-14H,7-12H2,1-6H3,(H,19,21)(H,20,22);(H2,2,3,4)/t14-;/m1./s1.
What are the key properties of tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid?
tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid has a molecular weight of 388.51 g/mol, XLogP of 3.99, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid is sourced from PubChem (CID 68800624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).