tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate

C12H25NO3 — CID 85361327

IUPACtert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
SMILESCC(C)C(CCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)10(7-6-8-14)13-11(15)16-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15)
InChIKeyKCAPDQVIEWBGNK-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.31
Rot. Bonds5

About tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate

tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate (PubChem CID 85361327) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
PubChem CID85361327
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
SMILESCC(C)C(CCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)10(7-6-8-14)13-11(15)16-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15)
InChIKeyKCAPDQVIEWBGNK-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-3-yl]carbamate
CID 139570514
tert-butyl N-[(3S)-6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-methylhexan-3-yl]carbamate
CID 155326284
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
tert-butyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10062769
(2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10728329
tert-butyl N-[(6S)-6,7-diamino-2-methylheptan-3-yl]carbamate
CID 130381371
tert-butyl (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11594439
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729
tert-butyl N-[(2R,3S)-1,3-dihydroxy-4-methylpentan-2-yl]carbamate
CID 14310881

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate (CID 85361327) is tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate is CC(C)C(CCCO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate?
The InChIKey is KCAPDQVIEWBGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(2)10(7-6-8-14)13-11(15)16-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15).
What are the key properties of tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate?
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate has a molecular weight of 231.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate is sourced from PubChem (CID 85361327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).