7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid

C12H20N2O4 — CID 168697198

IUPAC7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
SMILESNC(=O)C1CC(=O)N(CCCCCCC(=O)O)C1
InChIInChI=1S/C12H20N2O4/c13-12(18)9-7-10(15)14(8-9)6-4-2-1-3-5-11(16)17/h9H,1-8H2,(H2,13,18)(H,16,17)
InChIKeyIVDFFRYYPZTQNF-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.36
Rot. Bonds8

About 7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid

7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid (PubChem CID 168697198) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
PubChem CID168697198
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
SMILESNC(=O)C1CC(=O)N(CCCCCCC(=O)O)C1
InChIInChI=1S/C12H20N2O4/c13-12(18)9-7-10(15)14(8-9)6-4-2-1-3-5-11(16)17/h9H,1-8H2,(H2,13,18)(H,16,17)
InChIKeyIVDFFRYYPZTQNF-UHFFFAOYSA-N
XLogP0.36
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168694097
7-(2-oxo-4-sulfanylpyrrolidin-1-yl)heptanoic acid
CID 168709291
5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168700114
5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
CID 168697255
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168663010
(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid
CID 168695887
1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 168697217
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168714799

Frequently Asked Questions

What is the IUPAC name of 7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid?
The IUPAC name of 7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid (CID 168697198) is 7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid.
What is the SMILES notation for 7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid?
The canonical SMILES for 7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid is NC(=O)C1CC(=O)N(CCCCCCC(=O)O)C1.
What is the InChIKey of 7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid?
The InChIKey is IVDFFRYYPZTQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-12(18)9-7-10(15)14(8-9)6-4-2-1-3-5-11(16)17/h9H,1-8H2,(H2,13,18)(H,16,17).
What are the key properties of 7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid?
7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid is sourced from PubChem (CID 168697198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).