tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate

C16H24N2O3 — CID 115052979

IUPACtert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate
SMILESCOc1cccc(C(N)C2(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)21-14(19)18-16(8-9-16)13(17)11-6-5-7-12(10-11)20-4/h5-7,10,13H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyFRWRSSUKXJQESD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.75
Rot. Bonds4

About tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate

tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate (PubChem CID 115052979) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate
PubChem CID115052979
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate
SMILESCOc1cccc(C(N)C2(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)21-14(19)18-16(8-9-16)13(17)11-6-5-7-12(10-11)20-4/h5-7,10,13H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyFRWRSSUKXJQESD-UHFFFAOYSA-N
XLogP2.75
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[hydroxy-(3-methoxyphenyl)methyl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 155220792
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tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate
CID 70799961
tert-butyl (3S)-3-amino-3-(3-methoxyphenyl)propanoate
CID 54039799
methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 72737084
tert-butyl N-[(1R,2S)-2-amino-1-(4-chlorophenyl)-2-(3-methoxyphenyl)ethyl]carbamate
CID 118548096
(3S)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7010245
6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 103718921
tert-butyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103821967
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate
CID 155749556

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate (CID 115052979) is tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate is COc1cccc(C(N)C2(NC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate?
The InChIKey is FRWRSSUKXJQESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2,3)21-14(19)18-16(8-9-16)13(17)11-6-5-7-12(10-11)20-4/h5-7,10,13H,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate?
tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate is sourced from PubChem (CID 115052979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).