2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid

C15H20N2O5 — CID 129467141

IUPAC2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H20N2O5/c1-10(16-14(20)12-4-7-22-9-12)15(21)17-5-2-11(3-6-17)8-13(18)19/h4,7,9-11H,2-3,5-6,8H2,1H3,(H,16,20)(H,18,19)/t10-/m0/s1
InChIKeyMHIDBNHUINBLAF-JTQLQIEISA-N
MW308.33 g/mol
LogP1.11
Rot. Bonds5

About 2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid

2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid (PubChem CID 129467141) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid
PubChem CID129467141
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H20N2O5/c1-10(16-14(20)12-4-7-22-9-12)15(21)17-5-2-11(3-6-17)8-13(18)19/h4,7,9-11H,2-3,5-6,8H2,1H3,(H,16,20)(H,18,19)/t10-/m0/s1
InChIKeyMHIDBNHUINBLAF-JTQLQIEISA-N
XLogP1.11
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid (CID 129467141) is 2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid is C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid?
The InChIKey is MHIDBNHUINBLAF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10(16-14(20)12-4-7-22-9-12)15(21)17-5-2-11(3-6-17)8-13(18)19/h4,7,9-11H,2-3,5-6,8H2,1H3,(H,16,20)(H,18,19)/t10-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid?
2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid has a molecular weight of 308.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 129467141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).