2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid

C12H24N2O2 — CID 106020216

IUPAC2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid
SMILESCCCCC(NCC1CCCN1C)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-4-7-11(12(15)16)13-9-10-6-5-8-14(10)2/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyXUEWEKMSEGFIGF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds7

About 2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid

2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid (PubChem CID 106020216) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid
PubChem CID106020216
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid
SMILESCCCCC(NCC1CCCN1C)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-4-7-11(12(15)16)13-9-10-6-5-8-14(10)2/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyXUEWEKMSEGFIGF-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
CID 106024172
2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid
CID 106020198
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid
CID 61189907
2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]hexanoic acid
CID 63896583
2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79315867
2-(thian-4-ylmethylamino)hexanoic acid
CID 103264318
2-(oxan-2-ylmethylamino)hexanoic acid
CID 103243520
(2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid
CID 107567233
(2R)-5-amino-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106021134
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
CID 106020086
(2S)-4-hydroxy-2-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114005552
2-(2-cyclohexylethylamino)hexanoic acid
CID 103240091

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid?
The IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid (CID 106020216) is 2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid.
What is the SMILES notation for 2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid?
The canonical SMILES for 2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid is CCCCC(NCC1CCCN1C)C(=O)O.
What is the InChIKey of 2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid?
The InChIKey is XUEWEKMSEGFIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-7-11(12(15)16)13-9-10-6-5-8-14(10)2/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid?
2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid is sourced from PubChem (CID 106020216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).