tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate

C15H25N3O2 — CID 114986210

IUPACtert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate
SMILESCC(C1CC1)n1cncc1[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-10(17-14(19)20-15(3,4)5)13-8-16-9-18(13)11(2)12-6-7-12/h8-12H,6-7H2,1-5H3,(H,17,19)/t10-,11?/m1/s1
InChIKeyFIEOVQPRGPEAPP-NFJWQWPMSA-N
MW279.38 g/mol
LogP3.44
Rot. Bonds4

About tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate (PubChem CID 114986210) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate
PubChem CID114986210
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate
SMILESCC(C1CC1)n1cncc1[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-10(17-14(19)20-15(3,4)5)13-8-16-9-18(13)11(2)12-6-7-12/h8-12H,6-7H2,1-5H3,(H,17,19)/t10-,11?/m1/s1
InChIKeyFIEOVQPRGPEAPP-NFJWQWPMSA-N
XLogP3.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate
CID 114986138
tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986351
tert-butyl N-[(1R)-1-(3-cyclopentylimidazol-4-yl)ethyl]carbamate
CID 114986145
tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate
CID 104944062
tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate
CID 114986188
tert-butyl N-[(1R)-1-(3-pent-4-yn-2-ylimidazol-4-yl)ethyl]carbamate
CID 114986356
tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate
CID 114704068
tert-butyl N-[(1R)-1-(3-pent-4-en-2-ylimidazol-4-yl)ethyl]carbamate
CID 114986365
tert-butyl N-[1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethyl]carbamate
CID 114706497
tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate
CID 114986095
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134
tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
CID 114707734

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate (CID 114986210) is tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate is CC(C1CC1)n1cncc1[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate?
The InChIKey is FIEOVQPRGPEAPP-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(17-14(19)20-15(3,4)5)13-8-16-9-18(13)11(2)12-6-7-12/h8-12H,6-7H2,1-5H3,(H,17,19)/t10-,11?/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 114986210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).