tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate

C12H25NO3 — CID 145146307

IUPACtert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate
SMILESCC(C)C(CCO)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)10(7-8-14)13(6)11(15)16-12(3,4)5/h9-10,14H,7-8H2,1-6H3
InChIKeyIQGWTTFICMFSGL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.26
Rot. Bonds4

About tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate

tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate (PubChem CID 145146307) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate
PubChem CID145146307
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate
SMILESCC(C)C(CCO)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)10(7-8-14)13(6)11(15)16-12(3,4)5/h9-10,14H,7-8H2,1-6H3
InChIKeyIQGWTTFICMFSGL-UHFFFAOYSA-N
XLogP2.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
tert-butyl N-methyl-N-[4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-3-yl]carbamate
CID 143961871
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
tert-butyl N-methyl-N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 22055359
tert-butyl N-[(3S)-6-hydroxy-2,5-dimethylhex-4-en-3-yl]-N-methylcarbamate
CID 90842401
(2S)-4-bromo-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 174175672
tert-butyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate
CID 167721148
methyl (3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 10659864
tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 24824435
tert-butyl N-(1-hydroxy-5-methyl-2-oxohexan-3-yl)-N-methylcarbamate
CID 23567010

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate (CID 145146307) is tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate is CC(C)C(CCO)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate?
The InChIKey is IQGWTTFICMFSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(2)10(7-8-14)13(6)11(15)16-12(3,4)5/h9-10,14H,7-8H2,1-6H3.
What are the key properties of tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate?
tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate has a molecular weight of 231.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-4-methylpentan-3-yl)-N-methylcarbamate is sourced from PubChem (CID 145146307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).