propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate

C9H19NO3 — CID 64557205

IUPACpropan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate
SMILESCCC(C)(CO)NC(=O)OC(C)C
InChIInChI=1S/C9H19NO3/c1-5-9(4,6-11)10-8(12)13-7(2)3/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyYLJQBUOTBRVUSJ-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.28
Rot. Bonds4

About propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate

propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate (PubChem CID 64557205) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate
PubChem CID64557205
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namepropan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate
SMILESCCC(C)(CO)NC(=O)OC(C)C
InChIInChI=1S/C9H19NO3/c1-5-9(4,6-11)10-8(12)13-7(2)3/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyYLJQBUOTBRVUSJ-UHFFFAOYSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64556014
2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid
CID 79806625
2-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64557769
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875408
(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64549101
methyl 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-methylbutanoate
CID 79397397
N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide
CID 115776855
3-(ethylamino)-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64550140
5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 64549300
propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate
CID 66170109
N-ethyl-2-[(1-hydroxy-2-methylbutan-2-yl)amino]propanamide
CID 64550594
tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate
CID 153040099

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate (CID 64557205) is propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate is CCC(C)(CO)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate?
The InChIKey is YLJQBUOTBRVUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-9(4,6-11)10-8(12)13-7(2)3/h7,11H,5-6H2,1-4H3,(H,10,12).
What are the key properties of propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate?
propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate is sourced from PubChem (CID 64557205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).