[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate

C8H17NO3 — CID 87120669

IUPAC[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)(C)C[C@@H](CO)OC(N)=O
InChIInChI=1S/C8H17NO3/c1-8(2,3)4-6(5-10)12-7(9)11/h6,10H,4-5H2,1-3H3,(H2,9,11)/t6-/m0/s1
InChIKeyNOPMDSPMBLWBER-LURJTMIESA-N
MW175.23 g/mol
LogP0.88
Rot. Bonds3

About [(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate

[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate (PubChem CID 87120669) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is [(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
PubChem CID87120669
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)(C)C[C@@H](CO)OC(N)=O
InChIInChI=1S/C8H17NO3/c1-8(2,3)4-6(5-10)12-7(9)11/h6,10H,4-5H2,1-3H3,(H2,9,11)/t6-/m0/s1
InChIKeyNOPMDSPMBLWBER-LURJTMIESA-N
XLogP0.88
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate
CID 11805240
(2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate
CID 87233218
[(2S)-1-hydroxypent-4-en-2-yl] carbamate
CID 175099114
(1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate
CID 161039387
methyl 2-(hydroxymethyl)-4,4-dimethylpentanoate
CID 86048899
[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
CID 160785911
(1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate
CID 130454785
[(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 91312567
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
(5-amino-2,2,5-trimethylhexan-3-yl) carbamate
CID 150297531
bis(2,2-dimethylpropyl) 2,3-bis(2,2-dimethylpropyl)butanedioate
CID 22241877
[1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
CID 175379884

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate?
The IUPAC name of [(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate (CID 87120669) is [(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate is CC(C)(C)C[C@@H](CO)OC(N)=O.
What is the InChIKey of [(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate?
The InChIKey is NOPMDSPMBLWBER-LURJTMIESA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)4-6(5-10)12-7(9)11/h6,10H,4-5H2,1-3H3,(H2,9,11)/t6-/m0/s1.
What are the key properties of [(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate?
[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate has a molecular weight of 175.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 87120669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).