2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid

C16H31NO5 — CID 123714443

IUPAC2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
SMILESCC(C)(C)OC(=O)NCCC(C)(C)OCCC(C)(C)C(=O)O
InChIInChI=1S/C16H31NO5/c1-14(2,3)22-13(20)17-10-8-16(6,7)21-11-9-15(4,5)12(18)19/h8-11H2,1-7H3,(H,17,20)(H,18,19)
InChIKeyWEZWYKTXZJNEPV-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.20
Rot. Bonds8

About 2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid

2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid (PubChem CID 123714443) has the molecular formula C16H31NO5 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
PubChem CID123714443
Molecular FormulaC16H31NO5
Molecular Weight317.43 g/mol
Exact Mass317.22
IUPAC Name2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
SMILESCC(C)(C)OC(=O)NCCC(C)(C)OCCC(C)(C)C(=O)O
InChIInChI=1S/C16H31NO5/c1-14(2,3)22-13(20)17-10-8-16(6,7)21-11-9-15(4,5)12(18)19/h8-11H2,1-7H3,(H,17,20)(H,18,19)
InChIKeyWEZWYKTXZJNEPV-UHFFFAOYSA-N
XLogP3.20
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid with MolForge

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Related Compounds

2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid
CID 89285371
tert-butyl N-[3-(3-bromobutoxy)-3-methylbutyl]carbamate
CID 167168575
tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate
CID 130655244
2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid
CID 134502976
tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate
CID 163688917
tert-butyl N-[2-methyl-4-[2-methyl-5-[[3-methyl-3-[3-methyl-3-(propanoylamino)butoxy]butyl]amino]-5-oxopentan-2-yl]oxybutan-2-yl]carbamate
CID 170128014
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
(2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylbutanoic acid
CID 169085960
2-hydroxy-2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 54157326
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
CID 142467765
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid (CID 123714443) is 2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid is CC(C)(C)OC(=O)NCCC(C)(C)OCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid?
The InChIKey is WEZWYKTXZJNEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO5/c1-14(2,3)22-13(20)17-10-8-16(6,7)21-11-9-15(4,5)12(18)19/h8-11H2,1-7H3,(H,17,20)(H,18,19).
What are the key properties of 2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid?
2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid has a molecular weight of 317.43 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid is sourced from PubChem (CID 123714443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).