4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

C19H19NO4 — CID 2756086

IUPAC4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19NO4/c21-18(22)10-5-11-20-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,20,23)(H,21,22)
InChIKeyACUIFAAXWDLLTR-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.39
Rot. Bonds6

About 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid (PubChem CID 2756086) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
PubChem CID2756086
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19NO4/c21-18(22)10-5-11-20-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,20,23)(H,21,22)
InChIKeyACUIFAAXWDLLTR-UHFFFAOYSA-N
XLogP3.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
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
(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
N-Fluorenylmethoxycarbonyl-I2-alanine
CID 2724630

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid (CID 2756086) is 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid is O=C(O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
The InChIKey is ACUIFAAXWDLLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(22)10-5-11-20-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,20,23)(H,21,22).
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 2756086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).