1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid

C10H18N2O4 — CID 168690171

IUPAC1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(O)CNCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H18N2O4/c1-7(13)5-11-2-3-12-6-8(10(15)16)4-9(12)14/h7-8,11,13H,2-6H2,1H3,(H,15,16)
InChIKeyOFRGJCAUFQSZEL-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.11
Rot. Bonds6

About 1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid

1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690171) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690171
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(O)CNCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H18N2O4/c1-7(13)5-11-2-3-12-6-8(10(15)16)4-9(12)14/h7-8,11,13H,2-6H2,1H3,(H,15,16)
InChIKeyOFRGJCAUFQSZEL-UHFFFAOYSA-N
XLogP-1.11
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.11
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

1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82512183
1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 43552674
[1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674730
1-[2-(benzylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691354
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 70114955
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
1-[2-(2-hydroxypropylamino)ethyl]-4-methylpiperidine-2,6-dione
CID 104594518
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 106244819
1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106332650

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid (CID 168690171) is 1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid is CC(O)CNCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OFRGJCAUFQSZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(13)5-11-2-3-12-6-8(10(15)16)4-9(12)14/h7-8,11,13H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).