(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride

C21H25ClN2O4 — CID 11858928

IUPAC(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride
SMILESCl.NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C21H24N2O4.ClH/c22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25);1H/t19-;/m0./s1
InChIKeyMVMZFAIUUXYFGY-FYZYNONXSA-N
MW404.89 g/mol
LogP3.53
Rot. Bonds8

About (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride

(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride (PubChem CID 11858928) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride
PubChem CID11858928
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride
SMILESCl.NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C21H24N2O4.ClH/c22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25);1H/t19-;/m0./s1
InChIKeyMVMZFAIUUXYFGY-FYZYNONXSA-N
XLogP3.53
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Fmoc-leucine
CID 1549133
(2R)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid
CID 1549477
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)leucine
CID 4308
Delapril Hydrochloride
CID 5362115
1-(9H-Fluoren-9-ylmethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate
CID 100106
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
Fmoc-Lys(Boc)-OH
CID 2724628
N-(9H-(2,7-Dimethylfluoren-9-ylmethoxy)carbonyl)leucine
CID 119365
Fmoc-3-(2-naphthyl)-d-alanine
CID 7130590

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride?
The IUPAC name of (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride (CID 11858928) is (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride.
What is the SMILES notation for (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride?
The canonical SMILES for (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride is Cl.NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride?
The InChIKey is MVMZFAIUUXYFGY-FYZYNONXSA-N. The full InChI is InChI=1S/C21H24N2O4.ClH/c22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25);1H/t19-;/m0./s1.
What are the key properties of (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride?
(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride has a molecular weight of 404.89 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;hydrochloride is sourced from PubChem (CID 11858928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).