3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

C22H25NO4 — CID 75110601

IUPAC3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
SMILESCCC(CC)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H25NO4/c1-3-14(4-2)20(21(24)25)23-22(26)27-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,3-4,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeySHDUOAKEZPAHOK-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.41
Rot. Bonds7

About 3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid (PubChem CID 75110601) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
PubChem CID75110601
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
SMILESCCC(CC)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H25NO4/c1-3-14(4-2)20(21(24)25)23-22(26)27-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,3-4,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeySHDUOAKEZPAHOK-UHFFFAOYSA-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

Analyze 3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanedioic acid
CID 69296136
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]pentanoic acid
CID 170899056
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-propoxybutanoic acid
CID 166109625
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-propoxybutanoic acid
CID 176832271
(2S,3S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-methylpentanoic acid
CID 11729562
(2S,3S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-oxopentanoic acid
CID 102324396
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992514
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-3-sulfanylpropanoic acid
CID 135021468
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992511

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid (CID 75110601) is 3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid is CCC(CC)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The InChIKey is SHDUOAKEZPAHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-3-14(4-2)20(21(24)25)23-22(26)27-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,3-4,13H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic 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 3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 75110601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).