tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate

C13H29N3O3 — CID 102730417

IUPACtert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate
SMILESCC(CCO)NC(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H29N3O3/c1-9(6-7-17)15-11(8-14)10(2)16-12(18)19-13(3,4)5/h9-11,15,17H,6-8,14H2,1-5H3,(H,16,18)
InChIKeyIIPJAQWAZCQLBG-UHFFFAOYSA-N
MW275.39 g/mol
LogP0.59
Rot. Bonds7

About tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate

tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate (PubChem CID 102730417) has the molecular formula C13H29N3O3 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate
PubChem CID102730417
Molecular FormulaC13H29N3O3
Molecular Weight275.39 g/mol
Exact Mass275.22
IUPAC Nametert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate
SMILESCC(CCO)NC(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H29N3O3/c1-9(6-7-17)15-11(8-14)10(2)16-12(18)19-13(3,4)5/h9-11,15,17H,6-8,14H2,1-5H3,(H,16,18)
InChIKeyIIPJAQWAZCQLBG-UHFFFAOYSA-N
XLogP0.59
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate
CID 102730361
tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate
CID 102729964
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-[4-amino-3-(but-3-enylamino)butan-2-yl]carbamate
CID 102730466
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337
tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
CID 130573926
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl 2,4-diamino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 122688090
tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butyl]carbamate
CID 102730359
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 76779344
(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 89219629

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate (CID 102730417) is tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate is CC(CCO)NC(CN)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate?
The InChIKey is IIPJAQWAZCQLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3/c1-9(6-7-17)15-11(8-14)10(2)16-12(18)19-13(3,4)5/h9-11,15,17H,6-8,14H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate has a molecular weight of 275.39 g/mol, XLogP of 0.59, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 102730417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).