2-amino-3-(1-methylpiperidin-2-yl)propanoic acid

C9H18N2O2 — CID 83668031

IUPAC2-amino-3-(1-methylpiperidin-2-yl)propanoic acid
SMILESCN1CCCCC1CC(N)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-11-5-3-2-4-7(11)6-8(10)9(12)13/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKeyIVRMQRGYRPDZRY-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.27
Rot. Bonds3

About 2-amino-3-(1-methylpiperidin-2-yl)propanoic acid

2-amino-3-(1-methylpiperidin-2-yl)propanoic acid (PubChem CID 83668031) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-3-(1-methylpiperidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-methylpiperidin-2-yl)propanoic acid
PubChem CID83668031
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-3-(1-methylpiperidin-2-yl)propanoic acid
SMILESCN1CCCCC1CC(N)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-11-5-3-2-4-7(11)6-8(10)9(12)13/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKeyIVRMQRGYRPDZRY-UHFFFAOYSA-N
XLogP0.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate
CID 83982223
2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid
CID 106020229
3-methyl-1-(1-methylpiperidin-2-yl)butan-2-amine
CID 83982236
2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 63028622
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 83982331
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
CID 103244493
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
(2S)-2-amino-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]propanamide
CID 96553417
3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one
CID 58143490
2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide
CID 167386456

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methylpiperidin-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-methylpiperidin-2-yl)propanoic acid (CID 83668031) is 2-amino-3-(1-methylpiperidin-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-methylpiperidin-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-methylpiperidin-2-yl)propanoic acid is CN1CCCCC1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(1-methylpiperidin-2-yl)propanoic acid?
The InChIKey is IVRMQRGYRPDZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11-5-3-2-4-7(11)6-8(10)9(12)13/h7-8H,2-6,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-(1-methylpiperidin-2-yl)propanoic acid?
2-amino-3-(1-methylpiperidin-2-yl)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methylpiperidin-2-yl)propanoic acid is sourced from PubChem (CID 83668031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).