3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid

C7H10N2O5 — CID 45089614

IUPAC3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC(=O)O)C1=O
InChIInChI=1S/C7H10N2O5/c8-7(6(13)14)1-2-9(5(7)12)3-4(10)11/h1-3,8H2,(H,10,11)(H,13,14)
InChIKeyFKEGQYZUXBDOSN-UHFFFAOYSA-N
MW202.17 g/mol
LogP-1.91
Rot. Bonds3

About 3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid

3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid (PubChem CID 45089614) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid
PubChem CID45089614
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC(=O)O)C1=O
InChIInChI=1S/C7H10N2O5/c8-7(6(13)14)1-2-9(5(7)12)3-4(10)11/h1-3,8H2,(H,10,11)(H,13,14)
InChIKeyFKEGQYZUXBDOSN-UHFFFAOYSA-N
XLogP-1.91
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid (CID 45089614) is 3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(CC(=O)O)C1=O.
What is the InChIKey of 3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid?
The InChIKey is FKEGQYZUXBDOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c8-7(6(13)14)1-2-9(5(7)12)3-4(10)11/h1-3,8H2,(H,10,11)(H,13,14).
What are the key properties of 3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid?
3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid has a molecular weight of 202.17 g/mol, XLogP of -1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(carboxymethyl)-2-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 45089614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).