1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid

C11H20N2O4 — CID 55150446

IUPAC1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCOCCNC(=O)C(C)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(10(14)12-4-6-17-2)13-5-3-9(7-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyYWBKUGIWVMQBNI-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.46
Rot. Bonds6

About 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid

1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 55150446) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID55150446
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCOCCNC(=O)C(C)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(10(14)12-4-6-17-2)13-5-3-9(7-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyYWBKUGIWVMQBNI-UHFFFAOYSA-N
XLogP-0.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
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

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032736
2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 114507664
(3S,4S)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086295
2-[1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidin-4-yl]oxyacetic acid
CID 63902809
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904594
1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 43385831
N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63848663
1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid
CID 65066414
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide
CID 66196942

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid (CID 55150446) is 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid is COCCNC(=O)C(C)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is YWBKUGIWVMQBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(10(14)12-4-6-17-2)13-5-3-9(7-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 244.29 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-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55150446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).