2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid

C22H24N2O4 — CID 86307579

IUPAC2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid
SMILESN[C@H]1CCN(CC(=O)O)[C@@H](C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H24N2O4/c23-14-9-10-24(12-21(25)26)20(11-14)22(27)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19-20H,9-13,23H2,(H,25,26)/t14-,20+/m0/s1
InChIKeyDDSISWRPJLDURD-VBKZILBWSA-N
MW380.44 g/mol
LogP2.22
Rot. Bonds5

About 2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid

2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid (PubChem CID 86307579) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid
PubChem CID86307579
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid
SMILESN[C@H]1CCN(CC(=O)O)[C@@H](C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H24N2O4/c23-14-9-10-24(12-21(25)26)20(11-14)22(27)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19-20H,9-13,23H2,(H,25,26)/t14-,20+/m0/s1
InChIKeyDDSISWRPJLDURD-VBKZILBWSA-N
XLogP2.22
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid (CID 86307579) is 2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid is N[C@H]1CCN(CC(=O)O)[C@@H](C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid?
The InChIKey is DDSISWRPJLDURD-VBKZILBWSA-N. The full InChI is InChI=1S/C22H24N2O4/c23-14-9-10-24(12-21(25)26)20(11-14)22(27)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19-20H,9-13,23H2,(H,25,26)/t14-,20+/m0/s1.
What are the key properties of 2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid?
2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid has a molecular weight of 380.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 86307579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).