2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid

C16H31N3O2 — CID 63171282

IUPAC2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
SMILESCC(N)(CCCCN1CCC(N2CCCCC2)C1)C(=O)O
InChIInChI=1S/C16H31N3O2/c1-16(17,15(20)21)8-3-6-9-18-12-7-14(13-18)19-10-4-2-5-11-19/h14H,2-13,17H2,1H3,(H,20,21)
InChIKeyBIBRQBRWGQNWKP-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.52
Rot. Bonds7

About 2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid

2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid (PubChem CID 63171282) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
PubChem CID63171282
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
SMILESCC(N)(CCCCN1CCC(N2CCCCC2)C1)C(=O)O
InChIInChI=1S/C16H31N3O2/c1-16(17,15(20)21)8-3-6-9-18-12-7-14(13-18)19-10-4-2-5-11-19/h14H,2-13,17H2,1H3,(H,20,21)
InChIKeyBIBRQBRWGQNWKP-UHFFFAOYSA-N
XLogP1.52
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 55159526
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-methylpentanoic acid
CID 79945932
2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide
CID 79934820
2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine
CID 106708095
2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171016
1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol
CID 64820276
2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid
CID 62206651
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-ethylpentanoic acid
CID 106806403
2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 65248275
methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate
CID 63170970
3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63171229
tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 115618197

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid?
The IUPAC name of 2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid (CID 63171282) is 2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid.
What is the SMILES notation for 2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid?
The canonical SMILES for 2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid is CC(N)(CCCCN1CCC(N2CCCCC2)C1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid?
The InChIKey is BIBRQBRWGQNWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(17,15(20)21)8-3-6-9-18-12-7-14(13-18)19-10-4-2-5-11-19/h14H,2-13,17H2,1H3,(H,20,21).
What are the key properties of 2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid?
2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid has a molecular weight of 297.44 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid is sourced from PubChem (CID 63171282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).