2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid

C15H29NO5 — CID 89285371

IUPAC2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid
SMILESCC(C)(C)OC(=O)NCC(C)(C)OCCC(C)(C)C(=O)O
InChIInChI=1S/C15H29NO5/c1-13(2,3)21-12(19)16-10-15(6,7)20-9-8-14(4,5)11(17)18/h8-10H2,1-7H3,(H,16,19)(H,17,18)
InChIKeyFNLCZVJSKYBEDN-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.81
Rot. Bonds7

About 2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid

2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid (PubChem CID 89285371) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid
PubChem CID89285371
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid
SMILESCC(C)(C)OC(=O)NCC(C)(C)OCCC(C)(C)C(=O)O
InChIInChI=1S/C15H29NO5/c1-13(2,3)21-12(19)16-10-15(6,7)20-9-8-14(4,5)11(17)18/h8-10H2,1-7H3,(H,16,19)(H,17,18)
InChIKeyFNLCZVJSKYBEDN-UHFFFAOYSA-N
XLogP2.81
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
CID 123714443
tert-butyl N-[2-methyl-2-(2-methyl-2-sulfanylpropoxy)propyl]carbamate
CID 123396526
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide
CID 147135875
2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyethyl methylsulfonyloxymethanesulfonate
CID 175192046
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate
CID 129292881
[2-(3-methoxy-3-methylbutoxy)-2-methylpropyl]carbamoyl acetate
CID 118407791
2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106488784
tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate
CID 130655244
(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 153408462
2,2-difluoro-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 178200641

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid (CID 89285371) is 2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid is CC(C)(C)OC(=O)NCC(C)(C)OCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid?
The InChIKey is FNLCZVJSKYBEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-13(2,3)21-12(19)16-10-15(6,7)20-9-8-14(4,5)11(17)18/h8-10H2,1-7H3,(H,16,19)(H,17,18).
What are the key properties of 2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid?
2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid has a molecular weight of 303.40 g/mol, XLogP of 2.81, 7 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-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid is sourced from PubChem (CID 89285371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).