tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate

C11H21N3O3 — CID 89390053

IUPACtert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate
SMILESCC(=O)[C@@H](C/C(N)=C/N)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O3/c1-7(15)9(5-8(13)6-12)14-10(16)17-11(2,3)4/h6,9H,5,12-13H2,1-4H3,(H,14,16)/b8-6-/t9-/m1/s1
InChIKeyGJGHLUYOIULKEC-JGAIRUGNSA-N
MW243.31 g/mol
LogP0.62
Rot. Bonds4

About tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate

tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate (PubChem CID 89390053) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate
PubChem CID89390053
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate
SMILESCC(=O)[C@@H](C/C(N)=C/N)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O3/c1-7(15)9(5-8(13)6-12)14-10(16)17-11(2,3)4/h6,9H,5,12-13H2,1-4H3,(H,14,16)/b8-6-/t9-/m1/s1
InChIKeyGJGHLUYOIULKEC-JGAIRUGNSA-N
XLogP0.62
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]carbamate
CID 7034344
(3S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 7018765
(3S)-4-[[3-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethoxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 175887824
2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 22352296
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid;hydrochloride
CID 167732107
methyl (2S,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate
CID 58519403
chloromethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CID 165439278
1-O-tert-butyl 4-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 75487896
dimethyl (E)-2,7-bis[(2-methylpropan-2-yl)oxycarbonylamino]oct-4-enedioate
CID 10717511
tert-butyl (2S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 101008019
tert-butyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate;tert-butyl (2S)-2,4-diamino-4-oxobutanoate
CID 162162419
tert-butyl N-[1-amino-6-(methylamino)-1-oxohexan-2-yl]carbamate;ethane
CID 145013011

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate (CID 89390053) is tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate is CC(=O)[C@@H](C/C(N)=C/N)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate?
The InChIKey is GJGHLUYOIULKEC-JGAIRUGNSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(15)9(5-8(13)6-12)14-10(16)17-11(2,3)4/h6,9H,5,12-13H2,1-4H3,(H,14,16)/b8-6-/t9-/m1/s1.
What are the key properties of tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate?
tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate has a molecular weight of 243.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z,3R)-5,6-diamino-2-oxohex-5-en-3-yl]carbamate is sourced from PubChem (CID 89390053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).