2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid

C11H19ClN2O3 — CID 165440343

IUPAC2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid
SMILESNC(CC1CCN(C(=O)CCCl)CC1)C(=O)O
InChIInChI=1S/C11H19ClN2O3/c12-4-1-10(15)14-5-2-8(3-6-14)7-9(13)11(16)17/h8-9H,1-7,13H2,(H,16,17)
InChIKeyZQESYIFLIPYALW-UHFFFAOYSA-N
MW262.74 g/mol
LogP0.66
Rot. Bonds5

About 2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid

2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid (PubChem CID 165440343) has the molecular formula C11H19ClN2O3 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid
PubChem CID165440343
Molecular FormulaC11H19ClN2O3
Molecular Weight262.74 g/mol
Exact Mass262.11
IUPAC Name2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid
SMILESNC(CC1CCN(C(=O)CCCl)CC1)C(=O)O
InChIInChI=1S/C11H19ClN2O3/c12-4-1-10(15)14-5-2-8(3-6-14)7-9(13)11(16)17/h8-9H,1-7,13H2,(H,16,17)
InChIKeyZQESYIFLIPYALW-UHFFFAOYSA-N
XLogP0.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(2S)-2-amino-2-carboxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 177194425
2-amino-3-cyclopropylpropanoic acid
CID 519178
2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
CID 83983041
3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 54876000
3-chloro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 112624806
(2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
CID 101056620
(2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid
CID 177277776
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 43373029
1-[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]-3-chloropropan-1-one
CID 165439353
4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373252
2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid
CID 72979312

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid (CID 165440343) is 2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid is NC(CC1CCN(C(=O)CCCl)CC1)C(=O)O.
What is the InChIKey of 2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid?
The InChIKey is ZQESYIFLIPYALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O3/c12-4-1-10(15)14-5-2-8(3-6-14)7-9(13)11(16)17/h8-9H,1-7,13H2,(H,16,17).
What are the key properties of 2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid?
2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid has a molecular weight of 262.74 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 165440343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).