6-methyl-4-pyrrolidin-1-ylheptanoic acid

C12H23NO2 — CID 112517782

IUPAC6-methyl-4-pyrrolidin-1-ylheptanoic acid
SMILESCC(C)CC(CCC(=O)O)N1CCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)9-11(5-6-12(14)15)13-7-3-4-8-13/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyDFJVAZQHDGSFMD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds6

About 6-methyl-4-pyrrolidin-1-ylheptanoic acid

6-methyl-4-pyrrolidin-1-ylheptanoic acid (PubChem CID 112517782) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 6-methyl-4-pyrrolidin-1-ylheptanoic acid.

Molecular Properties

Compound Name6-methyl-4-pyrrolidin-1-ylheptanoic acid
PubChem CID112517782
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name6-methyl-4-pyrrolidin-1-ylheptanoic acid
SMILESCC(C)CC(CCC(=O)O)N1CCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)9-11(5-6-12(14)15)13-7-3-4-8-13/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyDFJVAZQHDGSFMD-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-4-piperidin-1-ylheptanoic acid
CID 112517978
(4R)-N-hydroxy-4-pyrrolidin-1-ylhexanamide
CID 131991593
2-(azepan-1-yl)-4-methylpentan-1-ol
CID 104549268
N,5-dimethyl-3-piperidin-1-ylhexan-1-amine
CID 112517776
3-[1-(2,6-dimethylheptan-4-yl)piperidin-3-yl]butanoic acid
CID 114867007
3-(2-methylpropyl)hexanedioic acid
CID 141433845
4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
CID 70074809
N,4-dimethyl-2-pyrrolidin-1-ylpentan-1-amine
CID 19439849
2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid
CID 114866965
1-(4-methylpentan-2-yl)pyrrolidine
CID 59761841
(4R)-4-amino-6-methylheptanoic acid;hydrochloride
CID 46218148
5-(2-oxopiperidin-1-yl)hexanoic acid
CID 82847597

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-pyrrolidin-1-ylheptanoic acid?
The IUPAC name of 6-methyl-4-pyrrolidin-1-ylheptanoic acid (CID 112517782) is 6-methyl-4-pyrrolidin-1-ylheptanoic acid.
What is the SMILES notation for 6-methyl-4-pyrrolidin-1-ylheptanoic acid?
The canonical SMILES for 6-methyl-4-pyrrolidin-1-ylheptanoic acid is CC(C)CC(CCC(=O)O)N1CCCC1.
What is the InChIKey of 6-methyl-4-pyrrolidin-1-ylheptanoic acid?
The InChIKey is DFJVAZQHDGSFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)9-11(5-6-12(14)15)13-7-3-4-8-13/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 6-methyl-4-pyrrolidin-1-ylheptanoic acid?
6-methyl-4-pyrrolidin-1-ylheptanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-pyrrolidin-1-ylheptanoic acid is sourced from PubChem (CID 112517782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).