2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid

C15H28N2O8 — CID 152544554

IUPAC2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)NCCOCCOCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C15H28N2O8/c1-15(2,3)25-14(22)16-4-6-23-8-9-24-7-5-17(10-12(18)19)11-13(20)21/h4-11H2,1-3H3,(H,16,22)(H,18,19)(H,20,21)
InChIKeyYMFAYXGIADKISR-UHFFFAOYSA-N
MW364.40 g/mol
LogP0.02
Rot. Bonds13

About 2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid

2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid (PubChem CID 152544554) has the molecular formula C15H28N2O8 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid
PubChem CID152544554
Molecular FormulaC15H28N2O8
Molecular Weight364.40 g/mol
Exact Mass364.18
IUPAC Name2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)NCCOCCOCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C15H28N2O8/c1-15(2,3)25-14(22)16-4-6-23-8-9-24-7-5-17(10-12(18)19)11-13(20)21/h4-11H2,1-3H3,(H,16,22)(H,18,19)(H,20,21)
InChIKeyYMFAYXGIADKISR-UHFFFAOYSA-N
XLogP0.02
TPSA134.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
2-[carboxymethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetic acid
CID 141486592
tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate
CID 126480429
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 51341057
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 75534948
benzyl N-[2-[2-[2-[bis[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 10941903
tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 11046862
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid (CID 152544554) is 2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid is CC(C)(C)OC(=O)NCCOCCOCCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid?
The InChIKey is YMFAYXGIADKISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O8/c1-15(2,3)25-14(22)16-4-6-23-8-9-24-7-5-17(10-12(18)19)11-13(20)21/h4-11H2,1-3H3,(H,16,22)(H,18,19)(H,20,21).
What are the key properties of 2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid?
2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid has a molecular weight of 364.40 g/mol, XLogP of 0.02, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid is sourced from PubChem (CID 152544554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).