2-(2-butoxyethylamino)acetic acid

C8H17NO3 — CID 61170119

IUPAC2-(2-butoxyethylamino)acetic acid
SMILESCCCCOCCNCC(=O)O
InChIInChI=1S/C8H17NO3/c1-2-3-5-12-6-4-9-7-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyAJTSYBCLNIFZIF-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.48
Rot. Bonds8

About 2-(2-butoxyethylamino)acetic acid

2-(2-butoxyethylamino)acetic acid (PubChem CID 61170119) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(2-butoxyethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-butoxyethylamino)acetic acid
PubChem CID61170119
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-(2-butoxyethylamino)acetic acid
SMILESCCCCOCCNCC(=O)O
InChIInChI=1S/C8H17NO3/c1-2-3-5-12-6-4-9-7-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyAJTSYBCLNIFZIF-UHFFFAOYSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-[2-[2-[2-(carboxymethylamino)ethoxy]ethoxy]ethylamino]acetic acid
CID 53400535
2-[2-(2-methoxyethoxy)ethylamino]acetic acid
CID 58383949
5-(2-docosoxyethylamino)pentanoic acid
CID 155437408
bis(2-octoxy-N-(2-octoxyethyl)ethanamine);oxalic acid
CID 171700708
3-(2-butoxyethylamino)-2-methylpropanoic acid
CID 61171284
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
2-(2-octanoyloxyethylamino)acetic acid
CID 155435320
acetic acid;1-butoxybutane
CID 22256220
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
N-(3-butoxypropyl)-2-(propylamino)acetamide
CID 115574332
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethylamino)acetic acid?
The IUPAC name of 2-(2-butoxyethylamino)acetic acid (CID 61170119) is 2-(2-butoxyethylamino)acetic acid.
What is the SMILES notation for 2-(2-butoxyethylamino)acetic acid?
The canonical SMILES for 2-(2-butoxyethylamino)acetic acid is CCCCOCCNCC(=O)O.
What is the InChIKey of 2-(2-butoxyethylamino)acetic acid?
The InChIKey is AJTSYBCLNIFZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-3-5-12-6-4-9-7-8(10)11/h9H,2-7H2,1H3,(H,10,11).
What are the key properties of 2-(2-butoxyethylamino)acetic acid?
2-(2-butoxyethylamino)acetic acid has a molecular weight of 175.23 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethylamino)acetic acid is sourced from PubChem (CID 61170119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).