2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid

C18H28N2O7 — CID 18985782

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)CN1C(=O)C2C1C(CC(=O)O)CN2C(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O7/c1-17(2,3)26-12(23)9-19-13-10(7-11(21)22)8-20(14(13)15(19)24)16(25)27-18(4,5)6/h10,13-14H,7-9H2,1-6H3,(H,21,22)
InChIKeyOKZDVZYTZPBBKQ-UHFFFAOYSA-N
MW384.43 g/mol
LogP1.25
Rot. Bonds4

About 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid

2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid (PubChem CID 18985782) has the molecular formula C18H28N2O7 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid
PubChem CID18985782
Molecular FormulaC18H28N2O7
Molecular Weight384.43 g/mol
Exact Mass384.19
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)CN1C(=O)C2C1C(CC(=O)O)CN2C(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O7/c1-17(2,3)26-12(23)9-19-13-10(7-11(21)22)8-20(14(13)15(19)24)16(25)27-18(4,5)6/h10,13-14H,7-9H2,1-6H3,(H,21,22)
InChIKeyOKZDVZYTZPBBKQ-UHFFFAOYSA-N
XLogP1.25
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid with MolForge

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Related Compounds

(1S,4R,5R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-4-(2-oxo-2-phenylmethoxyethyl)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylic acid
CID 67770108
3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazabicyclo[2.2.1]heptan-2-yl]propanoic acid
CID 84813116
2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid
CID 91436948
tert-butyl (1S,4R,5R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl]-6-[(2,4-dimethoxyphenyl)methyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 67641744
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopyrrolidin-2-yl]acetic acid
CID 82386519
tert-butyl (1R,4S)-6-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 97009666
2-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 155819570
2-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 83488189
tert-butyl 2-[2-(2-iodoethyl)-4-oxoazetidin-1-yl]acetate
CID 121223083
2-[(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 142151746
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
CID 2756051
2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 83851665

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid (CID 18985782) is 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid is CC(C)(C)OC(=O)CN1C(=O)C2C1C(CC(=O)O)CN2C(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid?
The InChIKey is OKZDVZYTZPBBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O7/c1-17(2,3)26-12(23)9-19-13-10(7-11(21)22)8-20(14(13)15(19)24)16(25)27-18(4,5)6/h10,13-14H,7-9H2,1-6H3,(H,21,22).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid?
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid has a molecular weight of 384.43 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptan-4-yl]acetic acid is sourced from PubChem (CID 18985782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).