2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid

C10H20N2O2 — CID 83983041

IUPAC2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
SMILESCCN1CCC(CC(N)C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-2-12-5-3-8(4-6-12)7-9(11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14)
InChIKeyYPLHHQGBRDXUAD-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.52
Rot. Bonds4

About 2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid

2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid (PubChem CID 83983041) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
PubChem CID83983041
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
SMILESCCN1CCC(CC(N)C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-2-12-5-3-8(4-6-12)7-9(11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14)
InChIKeyYPLHHQGBRDXUAD-UHFFFAOYSA-N
XLogP0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid
CID 83983047
2-amino-3-cyclopropylpropanoic acid
CID 519178
(2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid
CID 177277776
2-amino-2-(1-ethylazepan-4-yl)acetic acid
CID 84669559
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
(2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one
CID 159347857
4-[4-[(2S)-2-amino-2-carboxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 177194425
2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid
CID 165440343
3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol
CID 83983052
(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167112853
(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167126196
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 103813279

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid (CID 83983041) is 2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid is CCN1CCC(CC(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid?
The InChIKey is YPLHHQGBRDXUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-12-5-3-8(4-6-12)7-9(11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid?
2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 83983041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).