tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate

C14H23N3O2 — CID 116861036

IUPACtert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CC1)c1cc[nH]c1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-12(9-16-11-4-5-11)10-6-7-15-8-10/h6-8,11-12,15-16H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyYMKQNRFMNDYEMA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.33
Rot. Bonds5

About tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate

tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate (PubChem CID 116861036) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate
PubChem CID116861036
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CC1)c1cc[nH]c1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-12(9-16-11-4-5-11)10-6-7-15-8-10/h6-8,11-12,15-16H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyYMKQNRFMNDYEMA-UHFFFAOYSA-N
XLogP2.33
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
CID 103700824
tert-butyl N-[2-(methylamino)-2-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116861272
tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate
CID 103748482
tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
CID 68943833
tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate
CID 103748481
tert-butyl N-[2-(2-methylhydrazinyl)-2-oxo-1-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116849478
tert-butyl N-cyclopropyl-N-[2-hydroxy-1-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116860987
tert-butyl N-[2-[amino(methyl)amino]-2-oxo-1-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116849035
tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate
CID 103827885
tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate
CID 107256614
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate (CID 116861036) is tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NC(CNC1CC1)c1cc[nH]c1.
What is the InChIKey of tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate?
The InChIKey is YMKQNRFMNDYEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-12(9-16-11-4-5-11)10-6-7-15-8-10/h6-8,11-12,15-16H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate?
tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyclopropylamino)-1-(1H-pyrrol-3-yl)ethyl]carbamate is sourced from PubChem (CID 116861036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).