methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate

C8H17NO3 — CID 88922615

IUPACmethyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](CO)CC(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)4-7(5-10)9-8(11)12-3/h6-7,10H,4-5H2,1-3H3,(H,9,11)/t7-/m1/s1
InChIKeyWTIDGXRQZDYKPC-SSDOTTSWSA-N
MW175.23 g/mol
LogP0.75
Rot. Bonds4

About methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate

methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate (PubChem CID 88922615) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate
PubChem CID88922615
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](CO)CC(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)4-7(5-10)9-8(11)12-3/h6-7,10H,4-5H2,1-3H3,(H,9,11)/t7-/m1/s1
InChIKeyWTIDGXRQZDYKPC-SSDOTTSWSA-N
XLogP0.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate?
The IUPAC name of methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate (CID 88922615) is methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate is COC(=O)N[C@@H](CO)CC(C)C.
What is the InChIKey of methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate?
The InChIKey is WTIDGXRQZDYKPC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)4-7(5-10)9-8(11)12-3/h6-7,10H,4-5H2,1-3H3,(H,9,11)/t7-/m1/s1.
What are the key properties of methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate?
methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate has a molecular weight of 175.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 88922615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).