2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid

C11H22N2O2 — CID 62993597

IUPAC2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid
SMILESCC(C)(NCCCN1CCCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-11(2,10(14)15)12-6-5-9-13-7-3-4-8-13/h12H,3-9H2,1-2H3,(H,14,15)
InChIKeyQHHMNJKOBLWOMJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.93
Rot. Bonds6

About 2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid

2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid (PubChem CID 62993597) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid
PubChem CID62993597
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid
SMILESCC(C)(NCCCN1CCCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-11(2,10(14)15)12-6-5-9-13-7-3-4-8-13/h12H,3-9H2,1-2H3,(H,14,15)
InChIKeyQHHMNJKOBLWOMJ-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.93
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-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid
CID 82892104
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 114327405
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
2,2-dimethyl-6-piperidin-1-ylhexanoic acid
CID 106713861
3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 62933528
3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
CID 60851294
2-(3-fluoropropylamino)-2-methylpropanoic acid
CID 81114836
2-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid
CID 114994322
2-methyl-2-(nonylamino)propanoic acid
CID 65263943
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid (CID 62993597) is 2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid is CC(C)(NCCCN1CCCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid?
The InChIKey is QHHMNJKOBLWOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,10(14)15)12-6-5-9-13-7-3-4-8-13/h12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid?
2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-pyrrolidin-1-ylpropylamino)propanoic acid is sourced from PubChem (CID 62993597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).