tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate

C16H31NO3 — CID 170927509

IUPACtert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate
SMILESC=CCCCOC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H31NO3/c1-8-9-10-11-19-12-13(15(2,3)4)17-14(18)20-16(5,6)7/h8,13H,1,9-12H2,2-7H3,(H,17,18)/t13-/m0/s1
InChIKeyHHWLNYFAOQLQCQ-ZDUSSCGKSA-N
MW285.43 g/mol
LogP3.91
Rot. Bonds7

About tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate

tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate (PubChem CID 170927509) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate
PubChem CID170927509
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate
SMILESC=CCCCOC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H31NO3/c1-8-9-10-11-19-12-13(15(2,3)4)17-14(18)20-16(5,6)7/h8,13H,1,9-12H2,2-7H3,(H,17,18)/t13-/m0/s1
InChIKeyHHWLNYFAOQLQCQ-ZDUSSCGKSA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-tert-butyl N-[(3R,4S)-4-ethenyloxolan-3-yl]carbamate
CID 138039731
tert-butyl N-[(2R,3S)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 45103018
Ethyl 2-(tert-butoxycarbonylamino)-3,3-dimethylpent-4-enoate
CID 86706200
[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate
CID 89280637
tert-butyl N-[(2S)-1-butoxy-3,4-dimethylhex-5-en-2-yl]carbamate
CID 89591660
2,2-dimethylpent-4-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 117617021
butyl (2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 121322349
2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl N-(1-ethenylcyclopropyl)carbamate
CID 155145570
2,2-dimethylpent-4-enyl (2S)-2-aminopropanoate;2,2-dimethylpent-4-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 161764311
tert-butyl N-[(2S)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate
CID 163276057
tert-butyl N-[(3R,4R)-4-ethenyloxolan-3-yl]carbamate
CID 169118467
tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane
CID 169218189

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate (CID 170927509) is tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate is C=CCCCOC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate?
The InChIKey is HHWLNYFAOQLQCQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H31NO3/c1-8-9-10-11-19-12-13(15(2,3)4)17-14(18)20-16(5,6)7/h8,13H,1,9-12H2,2-7H3,(H,17,18)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate?
tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate has a molecular weight of 285.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3,3-dimethyl-1-pent-4-enoxybutan-2-yl]carbamate is sourced from PubChem (CID 170927509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).