[(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid

C14H21BrN2O3 — CID 135283054

IUPAC[(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid
SMILESCc1cc(Br)cnc1OC[C@@H](C)CC(C)(C)NC(=O)O
InChIInChI=1S/C14H21BrN2O3/c1-9(6-14(3,4)17-13(18)19)8-20-12-10(2)5-11(15)7-16-12/h5,7,9,17H,6,8H2,1-4H3,(H,18,19)/t9-/m0/s1
InChIKeyYDIXWOUZERATQC-VIFPVBQESA-N
MW345.24 g/mol
LogP3.60
Rot. Bonds6

About [(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid

[(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid (PubChem CID 135283054) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is [(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid
PubChem CID135283054
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name[(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid
SMILESCc1cc(Br)cnc1OC[C@@H](C)CC(C)(C)NC(=O)O
InChIInChI=1S/C14H21BrN2O3/c1-9(6-14(3,4)17-13(18)19)8-20-12-10(2)5-11(15)7-16-12/h5,7,9,17H,6,8H2,1-4H3,(H,18,19)/t9-/m0/s1
InChIKeyYDIXWOUZERATQC-VIFPVBQESA-N
XLogP3.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamate
CID 123323558
(5-bromo-3-methyl-2-pyridinyl) propanoate
CID 150932448
N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide
CID 83171017
[5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420142
1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid
CID 87427111
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
CID 167870567
5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
CID 134128575
(2S)-3-[(3-amino-5-bromo-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 167472277
(5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid
CID 118139687
5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine
CID 106795090
2-methylpropyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 133360706
[(4S)-4-[2-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]ethyl]-2,5-dimethylhexan-2-yl]carbamic acid
CID 175449453

Frequently Asked Questions

What is the IUPAC name of [(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
The IUPAC name of [(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid (CID 135283054) is [(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid.
What is the SMILES notation for [(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
The canonical SMILES for [(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid is Cc1cc(Br)cnc1OC[C@@H](C)CC(C)(C)NC(=O)O.
What is the InChIKey of [(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
The InChIKey is YDIXWOUZERATQC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-9(6-14(3,4)17-13(18)19)8-20-12-10(2)5-11(15)7-16-12/h5,7,9,17H,6,8H2,1-4H3,(H,18,19)/t9-/m0/s1.
What are the key properties of [(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid?
[(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid has a molecular weight of 345.24 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid is sourced from PubChem (CID 135283054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).