3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid

C11H18N2O5 — CID 177217825

IUPAC3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid
SMILESO=C(O)CCOCCCNC(=O)C1CNCC1=O
InChIInChI=1S/C11H18N2O5/c14-9-7-12-6-8(9)11(17)13-3-1-4-18-5-2-10(15)16/h8,12H,1-7H2,(H,13,17)(H,15,16)
InChIKeyVGUOHHUHMDVQBC-UHFFFAOYSA-N
MW258.27 g/mol
LogP-1.23
Rot. Bonds8

About 3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid

3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid (PubChem CID 177217825) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid.

Molecular Properties

Compound Name3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid
PubChem CID177217825
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid
SMILESO=C(O)CCOCCCNC(=O)C1CNCC1=O
InChIInChI=1S/C11H18N2O5/c14-9-7-12-6-8(9)11(17)13-3-1-4-18-5-2-10(15)16/h8,12H,1-7H2,(H,13,17)(H,15,16)
InChIKeyVGUOHHUHMDVQBC-UHFFFAOYSA-N
XLogP-1.23
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-[[(3R)-4-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 177217802
N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide
CID 107435769
3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid
CID 82584306
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propanoic acid
CID 175919550
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588
N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
CID 112728621
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
N-[3-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 106310691
3-[2-[2-[2-[3-[3-[3-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 123748562
7-(pyrrolidine-3-carbonylamino)heptanoic acid
CID 63005734
N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106236142

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid?
The IUPAC name of 3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid (CID 177217825) is 3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid.
What is the SMILES notation for 3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid?
The canonical SMILES for 3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid is O=C(O)CCOCCCNC(=O)C1CNCC1=O.
What is the InChIKey of 3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid?
The InChIKey is VGUOHHUHMDVQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c14-9-7-12-6-8(9)11(17)13-3-1-4-18-5-2-10(15)16/h8,12H,1-7H2,(H,13,17)(H,15,16).
What are the key properties of 3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid?
3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid has a molecular weight of 258.27 g/mol, XLogP of -1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-oxopyrrolidine-3-carbonyl)amino]propoxy]propanoic acid is sourced from PubChem (CID 177217825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).