4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid

C12H20N2O4 — CID 83193312

IUPAC4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)C1CNC(=O)C1
InChIInChI=1S/C12H20N2O4/c1-8(2)14(5-3-4-11(16)17)12(18)9-6-10(15)13-7-9/h8-9H,3-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyVCHCYJPULOIMRI-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.22
Rot. Bonds6

About 4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid

4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 83193312) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID83193312
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)C1CNC(=O)C1
InChIInChI=1S/C12H20N2O4/c1-8(2)14(5-3-4-11(16)17)12(18)9-6-10(15)13-7-9/h8-9H,3-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyVCHCYJPULOIMRI-UHFFFAOYSA-N
XLogP0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(3R,4R)-4-amino-1-((tert-butoxy)carbonyl)pyrrolidine-3-carboxylic acid
CID 44272289
N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
(3R,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 492445
4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 503252
1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 44367692
(3S,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 40461050
(3S,4S)-4-amino-1-(2-ethylbutanoyl)pyrrolidine-3-carboxylic acid
CID 5278228
(3S,4S)-4-amino-1-[(4-hydroxy-4-oxo-butyl)-isopropyl-carbamoyl]pyrrolidine-3-carboxylic acid
CID 5278237
(3S,4S)-1-(diisopropylcarbamoyl)-4-(methylamino)pyrrolidine-3-carboxylic acid
CID 5278242
(3S,4S)-1-(diisopropylcarbamoyl)-4-(dimethylcarbamoylamino)pyrrolidine-3-carboxylic acid
CID 5278245
(3S,4S)-4-(2-aminopropanoylamino)-1-(diisopropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 5278246
4-Amino-1-[(3-carboxy-propyl)-isopropyl-carbamoyl]-pyrrolidine-3-carboxylic acid
CID 44272322

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid (CID 83193312) is 4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)C1CNC(=O)C1.
What is the InChIKey of 4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is VCHCYJPULOIMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(2)14(5-3-4-11(16)17)12(18)9-6-10(15)13-7-9/h8-9H,3-7H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 83193312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).