1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid

C10H15NO5 — CID 168690197

IUPAC1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCC(CC(=O)O)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H15NO5/c1-2-7(4-9(13)14)11-5-6(10(15)16)3-8(11)12/h6-7H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyLWCFECKOWYTHHD-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.17
Rot. Bonds5

About 1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690197) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690197
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCC(CC(=O)O)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H15NO5/c1-2-7(4-9(13)14)11-5-6(10(15)16)3-8(11)12/h6-7H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyLWCFECKOWYTHHD-UHFFFAOYSA-N
XLogP0.17
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710
1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
3-(2-oxo-4-sulfanylpyrrolidin-1-yl)pentanoic acid
CID 168707686
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168661652
1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119346721
1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355319
1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 61469101
2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166
1-(2-carboxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690290
methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692637
1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112826915

Frequently Asked Questions

What is the IUPAC name of 1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 168690197) is 1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid is CCC(CC(=O)O)N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is LWCFECKOWYTHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-2-7(4-9(13)14)11-5-6(10(15)16)3-8(11)12/h6-7H,2-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).