propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate

C9H19NO3 — CID 66106917

IUPACpropan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
SMILESCC(CCO)CNC(=O)OC(C)C
InChIInChI=1S/C9H19NO3/c1-7(2)13-9(12)10-6-8(3)4-5-11/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyWVKGUZLGYGPHSM-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.14
Rot. Bonds5

About propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate

propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate (PubChem CID 66106917) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
PubChem CID66106917
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namepropan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
SMILESCC(CCO)CNC(=O)OC(C)C
InChIInChI=1S/C9H19NO3/c1-7(2)13-9(12)10-6-8(3)4-5-11/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyWVKGUZLGYGPHSM-UHFFFAOYSA-N
XLogP1.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66107566
propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
CID 116656155
2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide
CID 107905413
2-amino-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089038
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686
3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
CID 162127345
N-(4-hydroxy-2-methylbutyl)-3,3-dimethylbutanamide
CID 66106193
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide
CID 81102467
propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate
CID 63765601
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2-methoxyethyl)propanamide
CID 66106825

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate?
The IUPAC name of propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate (CID 66106917) is propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate.
What is the SMILES notation for propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate?
The canonical SMILES for propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate is CC(CCO)CNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate?
The InChIKey is WVKGUZLGYGPHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(2)13-9(12)10-6-8(3)4-5-11/h7-8,11H,4-6H2,1-3H3,(H,10,12).
What are the key properties of propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate?
propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate is sourced from PubChem (CID 66106917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).