tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate

C18H27NO3 — CID 56647662

IUPACtert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate
SMILESC[C@H](c1ccccc1)N(C(=O)OC(C)(C)C)[C@@H]1C[C@H]1CCO
InChIInChI=1S/C18H27NO3/c1-13(14-8-6-5-7-9-14)19(16-12-15(16)10-11-20)17(21)22-18(2,3)4/h5-9,13,15-16,20H,10-12H2,1-4H3/t13-,15-,16-/m1/s1
InChIKeyWYIZWNMILAFUAD-FVQBIDKESA-N
MW305.42 g/mol
LogP3.76
Rot. Bonds5

About tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate

tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate (PubChem CID 56647662) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate
PubChem CID56647662
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate
SMILESC[C@H](c1ccccc1)N(C(=O)OC(C)(C)C)[C@@H]1C[C@H]1CCO
InChIInChI=1S/C18H27NO3/c1-13(14-8-6-5-7-9-14)19(16-12-15(16)10-11-20)17(21)22-18(2,3)4/h5-9,13,15-16,20H,10-12H2,1-4H3/t13-,15-,16-/m1/s1
InChIKeyWYIZWNMILAFUAD-FVQBIDKESA-N
XLogP3.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-nitro-N-(1-phenylethyl)carbamate
CID 174584487
tert-butyl N-but-3-ynyl-N-(1-phenylethyl)carbamate
CID 132546673
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(1S)-1-phenylethyl]amino]-2-phenylacetate
CID 101155770
trans-tert-butyl (1S,2S)-2-[benzyl-[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylate
CID 140502070
tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate
CID 145307586
cis-tert-butyl (1S,2R)-2-[benzyl-[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylate
CID 10385071
tert-butyl (1S,2S,3R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-3-methylcyclopentane-1-carboxylate
CID 11280853
tert-butyl N,N-bis(3-oxo-1-phenylpropyl)carbamate
CID 87661307
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid
CID 18352705
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid
CID 156681988
tert-butyl (3R,4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidine-3-carboxylate
CID 11164899
2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
CID 172791429

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate (CID 56647662) is tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate is C[C@H](c1ccccc1)N(C(=O)OC(C)(C)C)[C@@H]1C[C@H]1CCO.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate?
The InChIKey is WYIZWNMILAFUAD-FVQBIDKESA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(14-8-6-5-7-9-14)19(16-12-15(16)10-11-20)17(21)22-18(2,3)4/h5-9,13,15-16,20H,10-12H2,1-4H3/t13-,15-,16-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate?
tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]-N-[(1R)-1-phenylethyl]carbamate is sourced from PubChem (CID 56647662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).