2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid

C14H28N2O6 — CID 177180720

IUPAC2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid
SMILESCC(C)CNCCOCCOCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H28N2O6/c1-12(2)9-15-3-5-21-7-8-22-6-4-16(10-13(17)18)11-14(19)20/h12,15H,3-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJVVZOTNDFZJSAG-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.26
Rot. Bonds15

About 2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid

2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid (PubChem CID 177180720) has the molecular formula C14H28N2O6 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid
PubChem CID177180720
Molecular FormulaC14H28N2O6
Molecular Weight320.39 g/mol
Exact Mass320.19
IUPAC Name2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid
SMILESCC(C)CNCCOCCOCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H28N2O6/c1-12(2)9-15-3-5-21-7-8-22-6-4-16(10-13(17)18)11-14(19)20/h12,15H,3-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJVVZOTNDFZJSAG-UHFFFAOYSA-N
XLogP-0.26
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 102241734
carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper
CID 22956668
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid;bis(2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid);ethene
CID 173205461
2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid
CID 152544554
2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 145210953
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 173046052
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid
CID 20692343
CID 131887709
CID 131887709
2-methyl-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propan-1-amine
CID 146640685
2-[2-[2-[2-[bis(2-nitroso-2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(2-nitroso-2-oxoethyl)amino]acetic acid
CID 134447270

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid (CID 177180720) is 2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid is CC(C)CNCCOCCOCCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid?
The InChIKey is JVVZOTNDFZJSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O6/c1-12(2)9-15-3-5-21-7-8-22-6-4-16(10-13(17)18)11-14(19)20/h12,15H,3-11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid?
2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid has a molecular weight of 320.39 g/mol, XLogP of -0.26, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid is sourced from PubChem (CID 177180720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).