2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid

C10H18N2O4 — CID 79478387

IUPAC2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid
SMILESNCCOCC(=O)N1CCC(CC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c11-2-4-16-7-9(13)12-3-1-8(6-12)5-10(14)15/h8H,1-7,11H2,(H,14,15)
InChIKeyMBWKDDKYSBXLAH-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.72
Rot. Bonds6

About 2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid

2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid (PubChem CID 79478387) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid
PubChem CID79478387
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid
SMILESNCCOCC(=O)N1CCC(CC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c11-2-4-16-7-9(13)12-3-1-8(6-12)5-10(14)15/h8H,1-7,11H2,(H,14,15)
InChIKeyMBWKDDKYSBXLAH-UHFFFAOYSA-N
XLogP-0.72
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-propoxyacetyl)piperidin-4-yl]acetic acid
CID 103790225
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-propoxyethanone;hydrochloride
CID 119484604
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
CID 79473510
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenylethoxy)ethanone;hydrochloride
CID 119486723
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenoxyethoxy)ethanone;hydrochloride
CID 119483479
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372
1-[2-(2-aminoethoxy)acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 79474031
N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide
CID 112701787
2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 114798908
3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid
CID 79473010

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid (CID 79478387) is 2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid is NCCOCC(=O)N1CCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is MBWKDDKYSBXLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-2-4-16-7-9(13)12-3-1-8(6-12)5-10(14)15/h8H,1-7,11H2,(H,14,15).
What are the key properties of 2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid?
2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 79478387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).