2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid

C17H32N2O7 — CID 123717759

IUPAC2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid
SMILESCC(CNC(=O)COCC(=O)O)OCC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O7/c1-12(7-18-13(20)8-24-9-14(21)22)25-11-17(5,6)10-19-15(23)26-16(2,3)4/h12H,7-11H2,1-6H3,(H,18,20)(H,19,23)(H,21,22)
InChIKeyALVMZDBAHQRHMY-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.16
Rot. Bonds11

About 2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid

2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid (PubChem CID 123717759) has the molecular formula C17H32N2O7 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid
PubChem CID123717759
Molecular FormulaC17H32N2O7
Molecular Weight376.45 g/mol
Exact Mass376.22
IUPAC Name2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid
SMILESCC(CNC(=O)COCC(=O)O)OCC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O7/c1-12(7-18-13(20)8-24-9-14(21)22)25-11-17(5,6)10-19-15(23)26-16(2,3)4/h12H,7-11H2,1-6H3,(H,18,20)(H,19,23)(H,21,22)
InChIKeyALVMZDBAHQRHMY-UHFFFAOYSA-N
XLogP1.16
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid with MolForge

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Related Compounds

ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate
CID 87219615
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate
CID 123711756
tert-butyl N-[3-(3-bromo-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate
CID 147498058
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707
2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106488784
2-ethoxy-N-(2-ethoxypropyl)acetamide
CID 115648995
2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid
CID 61328234
2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid
CID 166714903
2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid
CID 79558619
tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate
CID 166127236

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid (CID 123717759) is 2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid is CC(CNC(=O)COCC(=O)O)OCC(C)(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid?
The InChIKey is ALVMZDBAHQRHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O7/c1-12(7-18-13(20)8-24-9-14(21)22)25-11-17(5,6)10-19-15(23)26-16(2,3)4/h12H,7-11H2,1-6H3,(H,18,20)(H,19,23)(H,21,22).
What are the key properties of 2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid?
2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid has a molecular weight of 376.45 g/mol, XLogP of 1.16, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 123717759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).