(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid

C10H18N2O4 — CID 79281055

IUPAC(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESCOCCNCC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-6-4-11-7-9(13)12-5-2-3-8(12)10(14)15/h8,11H,2-7H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeySTZJMQINPLGYJL-QMMMGPOBSA-N
MW230.26 g/mol
LogP-0.70
Rot. Bonds6

About (2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 79281055) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID79281055
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESCOCCNCC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-6-4-11-7-9(13)12-5-2-3-8(12)10(14)15/h8,11H,2-7H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeySTZJMQINPLGYJL-QMMMGPOBSA-N
XLogP-0.70
TPSA78.87 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 ≤ 5-0.70
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-(2-methoxyethylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 79282787
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61157492
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79290556
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 124685569
(2R)-1-[2-(2-methoxyethylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid
CID 78921993
2-(2-methoxyethylamino)-1-(2-propan-2-ylpiperidin-1-yl)ethanone
CID 119788483
(2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54367996
cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane
CID 143581071

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid (CID 79281055) is (2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid is COCCNCC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is STZJMQINPLGYJL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-6-4-11-7-9(13)12-5-2-3-8(12)10(14)15/h8,11H,2-7H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79281055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).