tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate

C11H22N2O3 — CID 107237163

IUPACtert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate
SMILESCOCC(NNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-12-9(7-15-4)8-5-6-8/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyDIDGLDKUNLKYER-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.44
Rot. Bonds5

About tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate

tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate (PubChem CID 107237163) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate
PubChem CID107237163
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate
SMILESCOCC(NNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-12-9(7-15-4)8-5-6-8/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyDIDGLDKUNLKYER-UHFFFAOYSA-N
XLogP1.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[(2S)-1-methoxy-3-oxopropan-2-yl]amino]carbamate
CID 135156035
tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate
CID 103788187
tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate
CID 107239959
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate
CID 107240818
tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate
CID 103783719
tert-butyl N-(1-piperidin-4-ylethylamino)carbamate
CID 130856094
(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 169118256
tert-butyl N-(1-cyclopropyl-3-oxopentyl)carbamate
CID 165465125
tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate
CID 103782984
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 104578296

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate (CID 107237163) is tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate is COCC(NNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate?
The InChIKey is DIDGLDKUNLKYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-12-9(7-15-4)8-5-6-8/h8-9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate?
tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate is sourced from PubChem (CID 107237163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).