tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate

C19H35N3O5 — CID 166937100

IUPACtert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate
SMILESCCC(C)(C)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(O)C(=O)NC1CC1
InChIInChI=1S/C19H35N3O5/c1-7-19(5,6)22-14(23)11-10-13(21-17(26)27-18(2,3)4)15(24)16(25)20-12-8-9-12/h12-13,15,24H,7-11H2,1-6H3,(H,20,25)(H,21,26)(H,22,23)/t13-,15?/m0/s1
InChIKeyMXGLOGNLAXQARX-CFMCSPIPSA-N
MW385.51 g/mol
LogP1.60
Rot. Bonds9

About tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate

tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate (PubChem CID 166937100) has the molecular formula C19H35N3O5 and a molecular weight of 385.51 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate
PubChem CID166937100
Molecular FormulaC19H35N3O5
Molecular Weight385.51 g/mol
Exact Mass385.26
IUPAC Nametert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate
SMILESCCC(C)(C)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(O)C(=O)NC1CC1
InChIInChI=1S/C19H35N3O5/c1-7-19(5,6)22-14(23)11-10-13(21-17(26)27-18(2,3)4)15(24)16(25)20-12-8-9-12/h12-13,15,24H,7-11H2,1-6H3,(H,20,25)(H,21,26)(H,22,23)/t13-,15?/m0/s1
InChIKeyMXGLOGNLAXQARX-CFMCSPIPSA-N
XLogP1.60
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176
ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 22662602
tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972049
tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate
CID 106707688
tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972455
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
tert-butyl N-[1-(cyclobutylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62414196
tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate
CID 68758091
tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate
CID 66786848
methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate
CID 21016958
tert-butyl (3S,3aS,6aR)-3-[[(2S,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 129384953

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate (CID 166937100) is tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate is CCC(C)(C)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(O)C(=O)NC1CC1.
What is the InChIKey of tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate?
The InChIKey is MXGLOGNLAXQARX-CFMCSPIPSA-N. The full InChI is InChI=1S/C19H35N3O5/c1-7-19(5,6)22-14(23)11-10-13(21-17(26)27-18(2,3)4)15(24)16(25)20-12-8-9-12/h12-13,15,24H,7-11H2,1-6H3,(H,20,25)(H,21,26)(H,22,23)/t13-,15?/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate?
tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate has a molecular weight of 385.51 g/mol, XLogP of 1.60, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-6-(2-methylbutan-2-ylamino)-1,6-dioxohexan-3-yl]carbamate is sourced from PubChem (CID 166937100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).