tert-butyl N-(3-methoxybutyl)carbamate

C10H21NO3 — CID 126989537

IUPACtert-butyl N-(3-methoxybutyl)carbamate
SMILESCOC(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-8(13-5)6-7-11-9(12)14-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyFKYWNMIICVSBHA-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.94
Rot. Bonds4

About tert-butyl N-(3-methoxybutyl)carbamate

tert-butyl N-(3-methoxybutyl)carbamate (PubChem CID 126989537) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl N-(3-methoxybutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methoxybutyl)carbamate
PubChem CID126989537
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl N-(3-methoxybutyl)carbamate
SMILESCOC(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-8(13-5)6-7-11-9(12)14-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyFKYWNMIICVSBHA-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate
CID 89426613
(2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride
CID 138683443
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 131165923
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
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-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methoxybutyl)carbamate?
The IUPAC name of tert-butyl N-(3-methoxybutyl)carbamate (CID 126989537) is tert-butyl N-(3-methoxybutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methoxybutyl)carbamate?
The canonical SMILES for tert-butyl N-(3-methoxybutyl)carbamate is COC(C)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-methoxybutyl)carbamate?
The InChIKey is FKYWNMIICVSBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(13-5)6-7-11-9(12)14-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12).
What are the key properties of tert-butyl N-(3-methoxybutyl)carbamate?
tert-butyl N-(3-methoxybutyl)carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methoxybutyl)carbamate is sourced from PubChem (CID 126989537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).