acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid

C14H28N2O10 — CID 53400535

IUPACacetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid
SMILESCC(=O)O.CC(=O)O.O=C(O)CNCCOCCOCCNCC(=O)O
InChIInChI=1S/C10H20N2O6.2C2H4O2/c13-9(14)7-11-1-3-17-5-6-18-4-2-12-8-10(15)16;2*1-2(3)4/h11-12H,1-8H2,(H,13,14)(H,15,16);2*1H3,(H,3,4)
InChIKeyBRNDTMIAJDTZSE-UHFFFAOYSA-N
MW384.38 g/mol
LogP-1.45
Rot. Bonds13

About acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid

acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid (PubChem CID 53400535) has the molecular formula C14H28N2O10 and a molecular weight of 384.38 g/mol. Its IUPAC name is acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid.

Molecular Properties

Compound Nameacetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid
PubChem CID53400535
Molecular FormulaC14H28N2O10
Molecular Weight384.38 g/mol
Exact Mass384.17
IUPAC Nameacetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid
SMILESCC(=O)O.CC(=O)O.O=C(O)CNCCOCCOCCNCC(=O)O
InChIInChI=1S/C10H20N2O6.2C2H4O2/c13-9(14)7-11-1-3-17-5-6-18-4-2-12-8-10(15)16;2*1-2(3)4/h11-12H,1-8H2,(H,13,14)(H,15,16);2*1H3,(H,3,4)
InChIKeyBRNDTMIAJDTZSE-UHFFFAOYSA-N
XLogP-1.45
TPSA191.72 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.38
LogP ≤ 5-1.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethylamino]acetic acid
CID 58383949
2-(2-butoxyethylamino)acetic acid
CID 61170119
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
CID 175739046
3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid
CID 153323532
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid
CID 89408720
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 171819363
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid
CID 59649148
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118552732

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid?
The IUPAC name of acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid (CID 53400535) is acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid.
What is the SMILES notation for acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid?
The canonical SMILES for acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid is CC(=O)O.CC(=O)O.O=C(O)CNCCOCCOCCNCC(=O)O.
What is the InChIKey of acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid?
The InChIKey is BRNDTMIAJDTZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6.2C2H4O2/c13-9(14)7-11-1-3-17-5-6-18-4-2-12-8-10(15)16;2*1-2(3)4/h11-12H,1-8H2,(H,13,14)(H,15,16);2*1H3,(H,3,4).
What are the key properties of acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid?
acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid has a molecular weight of 384.38 g/mol, XLogP of -1.45, 13 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid is sourced from PubChem (CID 53400535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).