2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid

C9H18N2O4 — CID 61403571

IUPAC2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid
SMILESCCNCCCNC(=O)COCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-2-10-4-3-5-11-8(12)6-15-7-9(13)14/h10H,2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyYGRRWNQYUFLMQB-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.80
Rot. Bonds9

About 2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid

2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid (PubChem CID 61403571) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid
PubChem CID61403571
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid
SMILESCCNCCCNC(=O)COCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-2-10-4-3-5-11-8(12)6-15-7-9(13)14/h10H,2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyYGRRWNQYUFLMQB-UHFFFAOYSA-N
XLogP-0.80
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
CID 88852782
2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid
CID 106003646
N-[3-(ethylamino)propyl]-3-oxobutanamide
CID 170655625
N-ethyl-2-[2-(ethylamino)-2-oxoethoxy]acetamide
CID 13126647
N-[4-(ethylamino)butyl]-2-hydroxyacetamide
CID 147841199
4-[3-(ethylamino)propanoylamino]butanoic acid
CID 62835343
6-[(2-ethoxyacetyl)amino]hexanoic acid
CID 28777004
2-ethoxy-N-(3-formamidopropyl)acetamide
CID 155439472
2-(ethylaminomethoxy)acetic acid
CID 59628102
2-[2-oxo-2-[3-[2-[2-[3-(18-oxononadecanoylamino)propoxy]ethoxy]ethoxy]propylamino]ethoxy]acetic acid
CID 122413582
N-[3-(ethylamino)propyl]pentanamide;molecular hydrogen
CID 171627803
2-ethoxy-N-(3-hydroxypropyl)acetamide
CID 43419254

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid (CID 61403571) is 2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid is CCNCCCNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid?
The InChIKey is YGRRWNQYUFLMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-2-10-4-3-5-11-8(12)6-15-7-9(13)14/h10H,2-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid?
2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid has a molecular weight of 218.25 g/mol, XLogP of -0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61403571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).