tert-butyl(2-propoxyethyl)carbamic acid

C10H21NO3 — CID 87579706

IUPACtert-butyl(2-propoxyethyl)carbamic acid
SMILESCCCOCCN(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO3/c1-5-7-14-8-6-11(9(12)13)10(2,3)4/h5-8H2,1-4H3,(H,12,13)
InChIKeyNBUDOOMQFWJGPS-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.19
Rot. Bonds5

About tert-butyl(2-propoxyethyl)carbamic acid

tert-butyl(2-propoxyethyl)carbamic acid (PubChem CID 87579706) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl(2-propoxyethyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(2-propoxyethyl)carbamic acid
PubChem CID87579706
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl(2-propoxyethyl)carbamic acid
SMILESCCCOCCN(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO3/c1-5-7-14-8-6-11(9(12)13)10(2,3)4/h5-8H2,1-4H3,(H,12,13)
InChIKeyNBUDOOMQFWJGPS-UHFFFAOYSA-N
XLogP2.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
CID 98007656
2-aminooxyethyl(tert-butyl)carbamic acid
CID 86619024
3-[tert-butyl(2-propoxyethyl)amino]propanoic acid
CID 106454620
2-[2-[2-[2-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
CID 138696075
2-[2-[[amino(methylsulfanyl)methylidene]amino]ethoxy]ethyl-tert-butylcarbamic acid
CID 118380303
tert-butyl-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]carbamic acid
CID 123855093
tert-butyl(3-trimethoxysilylpropyl)carbamic acid
CID 23175203
tert-butyl-[(3S)-3-hydroxybutyl]carbamic acid
CID 87319200
tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride
CID 71651161
tert-butyl-[2-[2-[2-[(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-pentanoylamino]ethoxy]ethoxy]ethyl]carbamic acid
CID 89387541
tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane
CID 174147309
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369

Frequently Asked Questions

What is the IUPAC name of tert-butyl(2-propoxyethyl)carbamic acid?
The IUPAC name of tert-butyl(2-propoxyethyl)carbamic acid (CID 87579706) is tert-butyl(2-propoxyethyl)carbamic acid.
What is the SMILES notation for tert-butyl(2-propoxyethyl)carbamic acid?
The canonical SMILES for tert-butyl(2-propoxyethyl)carbamic acid is CCCOCCN(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl(2-propoxyethyl)carbamic acid?
The InChIKey is NBUDOOMQFWJGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-7-14-8-6-11(9(12)13)10(2,3)4/h5-8H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl(2-propoxyethyl)carbamic acid?
tert-butyl(2-propoxyethyl)carbamic acid has a molecular weight of 203.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-propoxyethyl)carbamic acid is sourced from PubChem (CID 87579706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).