3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C16H30N2O6 — CID 59940785

IUPAC3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)NCC(C)(C)C(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C16H30N2O6/c1-14(2,3)23-12(21)17-9-16(7,8)10(11(19)20)18-13(22)24-15(4,5)6/h10H,9H2,1-8H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyRHAUSDMRHQBQMY-UHFFFAOYSA-N
MW346.42 g/mol
LogP2.52
Rot. Bonds5

About 3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 59940785) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID59940785
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)NCC(C)(C)C(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C16H30N2O6/c1-14(2,3)23-12(21)17-9-16(7,8)10(11(19)20)18-13(22)24-15(4,5)6/h10H,9H2,1-8H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyRHAUSDMRHQBQMY-UHFFFAOYSA-N
XLogP2.52
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid with MolForge

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Related Compounds

(2S)-4-fluoro-3-(fluoromethyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118219392
(2S)-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-oxoethyl)butanoic acid
CID 175102179
(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18631841
3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid;3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 86762796
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106488784
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
(2S,7S)-2,7-bis[(2-methylpropan-2-yl)oxycarbonylamino]oct-4-ynedioic acid
CID 10692349
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of 3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 59940785) is 3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CC(C)(C)OC(=O)NCC(C)(C)C(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is RHAUSDMRHQBQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-14(2,3)23-12(21)17-9-16(7,8)10(11(19)20)18-13(22)24-15(4,5)6/h10H,9H2,1-8H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of 3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 346.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 59940785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).