2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid

C22H23NO4 — CID 178201093

IUPAC2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid
SMILESC=CCCC(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H23NO4/c1-2-3-8-15(21(24)25)13-23-22(26)27-14-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h2,4-7,9-12,15,20H,1,3,8,13-14H2,(H,23,26)(H,24,25)
InChIKeyGLHFUSWQAMZXCQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.19
Rot. Bonds8

About 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid

2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid (PubChem CID 178201093) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid.

Molecular Properties

Compound Name2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid
PubChem CID178201093
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid
SMILESC=CCCC(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H23NO4/c1-2-3-8-15(21(24)25)13-23-22(26)27-14-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h2,4-7,9-12,15,20H,1,3,8,13-14H2,(H,23,26)(H,24,25)
InChIKeyGLHFUSWQAMZXCQ-UHFFFAOYSA-N
XLogP4.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-hydroxypropanoic acid
CID 118704938
5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]pentanoic acid
CID 156889446
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 97047006
(2S)-2-[but-3-enyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 101472073
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid
CID 4052587
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(3,4,5-trifluorophenyl)propanoic acid
CID 165471628
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-oxo-4-(tritylamino)butanoic acid
CID 23231891
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(4-methoxyphenyl)propanoic acid
CID 7014947
2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid
CID 165496711
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-[3-(2-methylpropyl)phenyl]propanoic acid
CID 170899360

Frequently Asked Questions

What is the IUPAC name of 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid?
The IUPAC name of 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid (CID 178201093) is 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid.
What is the SMILES notation for 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid?
The canonical SMILES for 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid is C=CCCC(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid?
The InChIKey is GLHFUSWQAMZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-2-3-8-15(21(24)25)13-23-22(26)27-14-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h2,4-7,9-12,15,20H,1,3,8,13-14H2,(H,23,26)(H,24,25).
What are the key properties of 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid?
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid has a molecular weight of 365.43 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]hex-5-enoic acid is sourced from PubChem (CID 178201093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).