tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate

C17H27N3O4 — CID 100662508

IUPACtert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
SMILESC[C@H](NC1CC(NC(=O)OC(C)(C)C)C1)C(=O)NCc1ccco1
InChIInChI=1S/C17H27N3O4/c1-11(15(21)18-10-14-6-5-7-23-14)19-12-8-13(9-12)20-16(22)24-17(2,3)4/h5-7,11-13,19H,8-10H2,1-4H3,(H,18,21)(H,20,22)/t11-,12?,13?/m0/s1
InChIKeyHYXPRLRAMMHFRX-HIFPTAJRSA-N
MW337.42 g/mol
LogP1.93
Rot. Bonds6

About tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate

tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate (PubChem CID 100662508) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
PubChem CID100662508
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nametert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
SMILESC[C@H](NC1CC(NC(=O)OC(C)(C)C)C1)C(=O)NCc1ccco1
InChIInChI=1S/C17H27N3O4/c1-11(15(21)18-10-14-6-5-7-23-14)19-12-8-13(9-12)20-16(22)24-17(2,3)4/h5-7,11-13,19H,8-10H2,1-4H3,(H,18,21)(H,20,22)/t11-,12?,13?/m0/s1
InChIKeyHYXPRLRAMMHFRX-HIFPTAJRSA-N
XLogP1.93
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate with MolForge

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Related Compounds

2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide
CID 113475228
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide
CID 80712559
2-[(4-ethylcyclohexyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61469898
tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate
CID 55560299
tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate
CID 103720087
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
tert-butyl N-[2-(furan-2-ylmethylcarbamothioylamino)ethyl]carbamate
CID 84550174
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate (CID 100662508) is tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate is C[C@H](NC1CC(NC(=O)OC(C)(C)C)C1)C(=O)NCc1ccco1.
What is the InChIKey of tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate?
The InChIKey is HYXPRLRAMMHFRX-HIFPTAJRSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-11(15(21)18-10-14-6-5-7-23-14)19-12-8-13(9-12)20-16(22)24-17(2,3)4/h5-7,11-13,19H,8-10H2,1-4H3,(H,18,21)(H,20,22)/t11-,12?,13?/m0/s1.
What are the key properties of tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate?
tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate has a molecular weight of 337.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 100662508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).