1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid

C9H17NO4 — CID 14482400

IUPAC1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCOCCO
InChIInChI=1S/C9H17NO4/c11-5-7-14-6-4-10-3-1-2-8(10)9(12)13/h8,11H,1-7H2,(H,12,13)
InChIKeyUJUHQRMQTGPGCN-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.46
Rot. Bonds6

About 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid

1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 14482400) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID14482400
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCOCCO
InChIInChI=1S/C9H17NO4/c11-5-7-14-6-4-10-3-1-2-8(10)9(12)13/h8,11H,1-7H2,(H,12,13)
InChIKeyUJUHQRMQTGPGCN-UHFFFAOYSA-N
XLogP-0.46
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.46
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

1-(2-propoxyethyl)azepane-2-carboxylic acid
CID 106454718
tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate
CID 80709141
1-[2-(2-hydroxyethoxy)ethyl]-N-methylpiperidine-2-carboxamide
CID 111439529
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
CID 78994229
(2S)-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrrolidine-2-carboxylic acid
CID 175604221
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid
CID 61070324

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid (CID 14482400) is 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UJUHQRMQTGPGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c11-5-7-14-6-4-10-3-1-2-8(10)9(12)13/h8,11H,1-7H2,(H,12,13).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid?
1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 14482400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).