5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid

C26H25NO4 — CID 165476001

IUPAC5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C26H25NO4/c28-25(29)16-8-15-24(18-9-2-1-3-10-18)27-26(30)31-17-23-21-13-6-4-11-19(21)20-12-5-7-14-22(20)23/h1-7,9-14,23-24H,8,15-17H2,(H,27,30)(H,28,29)
InChIKeyWRJJOMDFDCDRHZ-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.52
Rot. Bonds8

About 5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid

5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid (PubChem CID 165476001) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
PubChem CID165476001
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C26H25NO4/c28-25(29)16-8-15-24(18-9-2-1-3-10-18)27-26(30)31-17-23-21-13-6-4-11-19(21)20-12-5-7-14-22(20)23/h1-7,9-14,23-24H,8,15-17H2,(H,27,30)(H,28,29)
InChIKeyWRJJOMDFDCDRHZ-UHFFFAOYSA-N
XLogP5.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024
lithium (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 170576317
(3S)-3-(4-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7023397
(3S)-3-[4-(difluoromethyl)phenyl]-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103840536
9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate
CID 25187710
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
CID 17040097
(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
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 67333230
3-[3-(difluoromethyl)phenyl]-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103841394
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methylsulfanylphenyl)propanoic acid
CID 7158628
4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]oxybutanoic acid
CID 23387371

Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid?
The IUPAC name of 5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid (CID 165476001) is 5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid?
The canonical SMILES for 5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid is O=C(O)CCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of 5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid?
The InChIKey is WRJJOMDFDCDRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c28-25(29)16-8-15-24(18-9-2-1-3-10-18)27-26(30)31-17-23-21-13-6-4-11-19(21)20-12-5-7-14-22(20)23/h1-7,9-14,23-24H,8,15-17H2,(H,27,30)(H,28,29).
What are the key properties of 5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid?
5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid has a molecular weight of 415.49 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 165476001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).