(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid

C22H25NO4 — CID 2761527

IUPAC(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
SMILESCC(C)C[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO4/c1-14(2)11-15(12-21(24)25)23-22(26)27-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKeyYLVSABQQLLRFIJ-HNNXBMFYSA-N
MW367.45 g/mol
LogP4.41
Rot. Bonds7

About (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid

(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid (PubChem CID 2761527) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid.

Molecular Properties

Compound Name(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
PubChem CID2761527
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
SMILESCC(C)C[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO4/c1-14(2)11-15(12-21(24)25)23-22(26)27-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKeyYLVSABQQLLRFIJ-HNNXBMFYSA-N
XLogP4.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Fmoc-leucine
CID 1549133
(2R)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid
CID 1549477
Fmoc-Lys(Boc)-OH
CID 2724628
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)leucine
CID 4308
6-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid
CID 2756087
N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-valine
CID 100115
FMOC-L-valine
CID 688217
N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-alanine
CID 6364642
(2S)-6-(((benzyloxy)carbonyl)amino)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)hexanoic acid
CID 3013736
N-(9H-(2,7-Dimethylfluoren-9-ylmethoxy)carbonyl)leucine
CID 119365
(2R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acid
CID 978332
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylbutanoic acid
CID 3296415

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid?
The IUPAC name of (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid (CID 2761527) is (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid.
What is the SMILES notation for (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid?
The canonical SMILES for (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid is CC(C)C[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid?
The InChIKey is YLVSABQQLLRFIJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-14(2)11-15(12-21(24)25)23-22(26)27-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t15-/m0/s1.
What are the key properties of (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid?
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid has a molecular weight of 367.45 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid is sourced from PubChem (CID 2761527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).