2-amino-2-(1-methylpiperidin-4-yl)propanoic acid

C9H18N2O2 — CID 82602342

IUPAC2-amino-2-(1-methylpiperidin-4-yl)propanoic acid
SMILESCN1CCC(C(C)(N)C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-9(10,8(12)13)7-3-5-11(2)6-4-7/h7H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyQNYJWFFKSNVKMN-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.13
Rot. Bonds2

About 2-amino-2-(1-methylpiperidin-4-yl)propanoic acid

2-amino-2-(1-methylpiperidin-4-yl)propanoic acid (PubChem CID 82602342) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-2-(1-methylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(1-methylpiperidin-4-yl)propanoic acid
PubChem CID82602342
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-2-(1-methylpiperidin-4-yl)propanoic acid
SMILESCN1CCC(C(C)(N)C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-9(10,8(12)13)7-3-5-11(2)6-4-7/h7H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyQNYJWFFKSNVKMN-UHFFFAOYSA-N
XLogP0.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
(2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid
CID 67723227
2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride
CID 70289577
(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 91173191
2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide
CID 141011874
methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
CID 116963121
(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 91082020
2-[(3R)-1-methylpyrrolidin-3-yl]propan-2-amine
CID 59033358
2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 60856927
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 79797253
2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 110837238
(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpiperidin-4-yl)propanoic acid?
The IUPAC name of 2-amino-2-(1-methylpiperidin-4-yl)propanoic acid (CID 82602342) is 2-amino-2-(1-methylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-(1-methylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 2-amino-2-(1-methylpiperidin-4-yl)propanoic acid is CN1CCC(C(C)(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-2-(1-methylpiperidin-4-yl)propanoic acid?
The InChIKey is QNYJWFFKSNVKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(10,8(12)13)7-3-5-11(2)6-4-7/h7H,3-6,10H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-(1-methylpiperidin-4-yl)propanoic acid?
2-amino-2-(1-methylpiperidin-4-yl)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 82602342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).