[(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate

C14H20N4O2 — CID 140501805

IUPAC[(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate
SMILESCC(C)(C[C@@H](CN=[N+]=[N-])Cc1ccccc1)OC(N)=O
InChIInChI=1S/C14H20N4O2/c1-14(2,20-13(15)19)9-12(10-17-18-16)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,15,19)/t12-/m0/s1
InChIKeyQBVWLPLPPLINQM-LBPRGKRZSA-N
MW276.34 g/mol
LogP3.42
Rot. Bonds7

About [(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate

[(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate (PubChem CID 140501805) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate
PubChem CID140501805
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate
SMILESCC(C)(C[C@@H](CN=[N+]=[N-])Cc1ccccc1)OC(N)=O
InChIInChI=1S/C14H20N4O2/c1-14(2,20-13(15)19)9-12(10-17-18-16)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,15,19)/t12-/m0/s1
InChIKeyQBVWLPLPPLINQM-LBPRGKRZSA-N
XLogP3.42
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[3-azido-2-(azidomethyl)propyl]benzene
CID 15477707
[2-(azidomethyl)-4-phenylbutyl] 2,2-dimethylpropanoate
CID 20769139
(3S)-3-amino-4-azido-2-benzylbutanoic acid
CID 142639900
[2-(azidomethyl)-3-(4-tert-butylphenyl)propyl] acetate
CID 18407334
[(2S)-1-azido-3-phenylpropan-2-yl] N-tert-butylcarbamate
CID 175041010
tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 59131603
azido 2-amino-3-phenylpropanoate
CID 77211424
(2S)-1-azido-3-phenylpropan-2-ol
CID 101111843
methyl 2-(2-azidoethylamino)-3-phenylpropanoate
CID 66190227
(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate
CID 150050073
(6-imino-2,4,4-trimethyl-7-phenylheptan-2-yl) carbamate
CID 174559227
[1-[(2S)-2-amino-3-phenylpropanoyl]oxy-1-hydroxyethyl]phosphonic acid
CID 56978908

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate?
The IUPAC name of [(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate (CID 140501805) is [(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate.
What is the SMILES notation for [(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate?
The canonical SMILES for [(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate is CC(C)(C[C@@H](CN=[N+]=[N-])Cc1ccccc1)OC(N)=O.
What is the InChIKey of [(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate?
The InChIKey is QBVWLPLPPLINQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,20-13(15)19)9-12(10-17-18-16)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,15,19)/t12-/m0/s1.
What are the key properties of [(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate?
[(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate has a molecular weight of 276.34 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate is sourced from PubChem (CID 140501805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).