2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid

C25H48N2O13 — CID 4302465

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)O
InChIInChI=1S/C25H48N2O13/c1-25(2,3)40-24(31)27-5-7-33-9-11-35-13-15-37-17-19-38-18-16-36-14-12-34-10-8-32-6-4-26-22(28)20-39-21-23(29)30/h4-21H2,1-3H3,(H,26,28)(H,27,31)(H,29,30)
InChIKeyGMMDQHZZIFLHLH-UHFFFAOYSA-N
MW584.66 g/mol
LogP-0.16
Rot. Bonds28

About 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid (PubChem CID 4302465) has the molecular formula C25H48N2O13 and a molecular weight of 584.66 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid
PubChem CID4302465
Molecular FormulaC25H48N2O13
Molecular Weight584.66 g/mol
Exact Mass584.32
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)O
InChIInChI=1S/C25H48N2O13/c1-25(2,3)40-24(31)27-5-7-33-9-11-35-13-15-37-17-19-38-18-16-36-14-12-34-10-8-32-6-4-26-22(28)20-39-21-23(29)30/h4-21H2,1-3H3,(H,26,28)(H,27,31)(H,29,30)
InChIKeyGMMDQHZZIFLHLH-UHFFFAOYSA-N
XLogP-0.16
TPSA178.57 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.66
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid (CID 4302465) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid is CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid?
The InChIKey is GMMDQHZZIFLHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2O13/c1-25(2,3)40-24(31)27-5-7-33-9-11-35-13-15-37-17-19-38-18-16-36-14-12-34-10-8-32-6-4-26-22(28)20-39-21-23(29)30/h4-21H2,1-3H3,(H,26,28)(H,27,31)(H,29,30).
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid?
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid has a molecular weight of 584.66 g/mol, XLogP of -0.16, 28 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 4302465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).