2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid

C15H30N2O2 — CID 65289087

IUPAC2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCCCN1CCCC1
InChIInChI=1S/C15H30N2O2/c1-13(15(18)19)7-5-8-14(2)16-9-6-12-17-10-3-4-11-17/h13-14,16H,3-12H2,1-2H3,(H,18,19)
InChIKeyWIJWMQKUHZXIAE-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds10

About 2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid

2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid (PubChem CID 65289087) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid
PubChem CID65289087
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCCCN1CCCC1
InChIInChI=1S/C15H30N2O2/c1-13(15(18)19)7-5-8-14(2)16-9-6-12-17-10-3-4-11-17/h13-14,16H,3-12H2,1-2H3,(H,18,19)
InChIKeyWIJWMQKUHZXIAE-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.34
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

2-methyl-5-pyrrolidin-1-ylpentanoic acid
CID 104686947
5-(azepan-1-yl)-2-methylpentanoic acid
CID 104686956
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280
2-methyl-6-(4-methylpentylamino)heptanoic acid
CID 83157356
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65288885
2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)pentanoic acid
CID 104686613
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
2-methyl-6-(2-sulfamoylethylamino)heptanoic acid
CID 114385392
4-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 115970429
N,N'-bis(3-methylbutyl)-2-(3-piperidin-1-ylpropylamino)propanediamide
CID 139757133
5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine
CID 107913763
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid?
The IUPAC name of 2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid (CID 65289087) is 2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid.
What is the SMILES notation for 2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid?
The canonical SMILES for 2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid is CC(CCCC(C)C(=O)O)NCCCN1CCCC1.
What is the InChIKey of 2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid?
The InChIKey is WIJWMQKUHZXIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13(15(18)19)7-5-8-14(2)16-9-6-12-17-10-3-4-11-17/h13-14,16H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid?
2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid is sourced from PubChem (CID 65289087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).