tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate

C15H30N2O5 — CID 59367237

IUPACtert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O5/c1-14(2,3)21-12(19)16-9-7-11(18)8-10-17-13(20)22-15(4,5)6/h11,18H,7-10H2,1-6H3,(H,16,19)(H,17,20)
InChIKeyINZCCGFGEHTXMX-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.18
Rot. Bonds6

About tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate

tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate (PubChem CID 59367237) has the molecular formula C15H30N2O5 and a molecular weight of 318.41 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
PubChem CID59367237
Molecular FormulaC15H30N2O5
Molecular Weight318.41 g/mol
Exact Mass318.22
IUPAC Nametert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O5/c1-14(2,3)21-12(19)16-9-7-11(18)8-10-17-13(20)22-15(4,5)6/h11,18H,7-10H2,1-6H3,(H,16,19)(H,17,20)
InChIKeyINZCCGFGEHTXMX-UHFFFAOYSA-N
XLogP2.18
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
CID 174908055
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
CID 89422751
tert-butyl N-(3-methoxybutyl)carbamate
CID 126989537
tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate
CID 142165628
tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate
CID 175626004
tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate
CID 89229854
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 166714881
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate (CID 59367237) is tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate is CC(C)(C)OC(=O)NCCC(O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate?
The InChIKey is INZCCGFGEHTXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O5/c1-14(2,3)21-12(19)16-9-7-11(18)8-10-17-13(20)22-15(4,5)6/h11,18H,7-10H2,1-6H3,(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate?
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate has a molecular weight of 318.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate is sourced from PubChem (CID 59367237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).