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

C13H21NO5 — CID 168694097

IUPAC7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
SMILESCOC(=O)C1CC(=O)N(CCCCCCC(=O)O)C1
InChIInChI=1S/C13H21NO5/c1-19-13(18)10-8-11(15)14(9-10)7-5-3-2-4-6-12(16)17/h10H,2-9H2,1H3,(H,16,17)
InChIKeyFQDRKEMDYIUSBF-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.04
Rot. Bonds8

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

7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid (PubChem CID 168694097) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
PubChem CID168694097
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
SMILESCOC(=O)C1CC(=O)N(CCCCCCC(=O)O)C1
InChIInChI=1S/C13H21NO5/c1-19-13(18)10-8-11(15)14(9-10)7-5-3-2-4-6-12(16)17/h10H,2-9H2,1H3,(H,16,17)
InChIKeyFQDRKEMDYIUSBF-UHFFFAOYSA-N
XLogP1.04
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(6-aminohexyl)-5-oxopyrrolidine-3-carboxylate
CID 168694101
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168697198
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate
CID 3023550
methyl 1-[3-(benzylamino)propyl]-5-oxopyrrolidine-3-carboxylate
CID 168694119
7-(2-oxo-4-sulfanylpyrrolidin-1-yl)heptanoic acid
CID 168709291
methyl 1-[4-(N-methylanilino)butyl]-5-oxopyrrolidine-3-carboxylate
CID 168693255
3-hydroxy-4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)butanoic acid
CID 168692793
methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 139513691
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168663010
5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168700114

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid?
The IUPAC name of 7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid (CID 168694097) is 7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid.
What is the SMILES notation for 7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid?
The canonical SMILES for 7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid is COC(=O)C1CC(=O)N(CCCCCCC(=O)O)C1.
What is the InChIKey of 7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid?
The InChIKey is FQDRKEMDYIUSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-19-13(18)10-8-11(15)14(9-10)7-5-3-2-4-6-12(16)17/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid?
7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid has a molecular weight of 271.31 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid is sourced from PubChem (CID 168694097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).