4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid

C26H30N2O6 — CID 178196111

IUPAC4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid
SMILESC[C@H]1CC[C@H](O)CN1C(=O)C(CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H30N2O6/c1-16-10-11-17(29)14-28(16)25(32)23(12-13-24(30)31)27-26(33)34-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,22-23,29H,10-15H2,1H3,(H,27,33)(H,30,31)/t16-,17-,23?/m0/s1
InChIKeyJBRFBUVVHYQGJQ-UYHNVOLQSA-N
MW466.53 g/mol
LogP3.13
Rot. Bonds7

About 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid

4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid (PubChem CID 178196111) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid
PubChem CID178196111
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid
SMILESC[C@H]1CC[C@H](O)CN1C(=O)C(CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H30N2O6/c1-16-10-11-17(29)14-28(16)25(32)23(12-13-24(30)31)27-26(33)34-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,22-23,29H,10-15H2,1H3,(H,27,33)(H,30,31)/t16-,17-,23?/m0/s1
InChIKeyJBRFBUVVHYQGJQ-UYHNVOLQSA-N
XLogP3.13
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid with MolForge

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Related Compounds

(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 67333230
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(3-methylcyclopentyl)amino]-5-oxopentanoic acid
CID 165461212
(2R,3R)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-2-methylpiperidine-3-carboxylic acid
CID 178198407
2-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid
CID 165481439
(4S)-5-amino-4-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]-5-oxopentanoic acid
CID 175785725
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 75628880
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 10049854
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894
(2R,3R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]-2-methylpiperidine-3-carboxylic acid
CID 178192167
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[1-(1-methoxyethoxy)ethoxy]-5-oxopentanoic acid
CID 67935182
(2S)-5-deuteriooxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
CID 175932295
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid
CID 103695951

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid (CID 178196111) is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid is C[C@H]1CC[C@H](O)CN1C(=O)C(CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid?
The InChIKey is JBRFBUVVHYQGJQ-UYHNVOLQSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-16-10-11-17(29)14-28(16)25(32)23(12-13-24(30)31)27-26(33)34-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,22-23,29H,10-15H2,1H3,(H,27,33)(H,30,31)/t16-,17-,23?/m0/s1.
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid?
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid has a molecular weight of 466.53 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 178196111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).