(2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid

C9H18N2O4S — CID 67154264

IUPAC(2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid
SMILESN[C@@H](CCS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O4S/c10-8(9(12)13)4-7-16(14,15)11-5-2-1-3-6-11/h8H,1-7,10H2,(H,12,13)/t8-/m0/s1
InChIKeyIPAVREJSVJQZJI-QMMMGPOBSA-N
MW250.32 g/mol
LogP-0.40
Rot. Bonds5

About (2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid

(2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid (PubChem CID 67154264) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is (2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid
PubChem CID67154264
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name(2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid
SMILESN[C@@H](CCS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O4S/c10-8(9(12)13)4-7-16(14,15)11-5-2-1-3-6-11/h8H,1-7,10H2,(H,12,13)/t8-/m0/s1
InChIKeyIPAVREJSVJQZJI-QMMMGPOBSA-N
XLogP-0.40
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid?
The IUPAC name of (2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid (CID 67154264) is (2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid?
The canonical SMILES for (2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid is N[C@@H](CCS(=O)(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid?
The InChIKey is IPAVREJSVJQZJI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O4S/c10-8(9(12)13)4-7-16(14,15)11-5-2-1-3-6-11/h8H,1-7,10H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid?
(2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid has a molecular weight of 250.32 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-piperidin-1-ylsulfonylbutanoic acid is sourced from PubChem (CID 67154264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).