(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid

C22H25NO4 — CID 155270949

IUPAC(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid
SMILESCC[C@H](C)C(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H25NO4/c1-4-14(2)22(3,20(24)25)23-21(26)27-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19H,4,13H2,1-3H3,(H,23,26)(H,24,25)/t14-,22?/m0/s1
InChIKeyTZBPFKBKTDHMEU-XLEXHMCLSA-N
MW367.44 g/mol
LogP4.41
Rot. Bonds6

About (3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid

(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid (PubChem CID 155270949) has the molecular formula C22H25NO4 and a molecular weight of 367.44 g/mol. Its IUPAC name is (3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid.

Molecular Properties

Compound Name(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid
PubChem CID155270949
Molecular FormulaC22H25NO4
Molecular Weight367.44 g/mol
Exact Mass367.18
IUPAC Name(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid
SMILESCC[C@H](C)C(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H25NO4/c1-4-14(2)22(3,20(24)25)23-21(26)27-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19H,4,13H2,1-3H3,(H,23,26)(H,24,25)/t14-,22?/m0/s1
InChIKeyTZBPFKBKTDHMEU-XLEXHMCLSA-N
XLogP4.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic 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

9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
CID 158290286
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 63310465
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131697971
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-methylsulfonylpropanoic acid
CID 91128209
3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 104866483
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 6950285
3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoic acid
CID 165483758
9H-fluoren-9-ylmethyl N-(1-fluoro-2-methyl-1-oxobutan-2-yl)carbamate
CID 10315254
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpent-4-ynoic acid
CID 51885237
9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 149150407
(3S,4S)-3-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-4-methyl-2-oxohexanoic acid
CID 171600884

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid?
The IUPAC name of (3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid (CID 155270949) is (3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid.
What is the SMILES notation for (3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid?
The canonical SMILES for (3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid is CC[C@H](C)C(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid?
The InChIKey is TZBPFKBKTDHMEU-XLEXHMCLSA-N. The full InChI is InChI=1S/C22H25NO4/c1-4-14(2)22(3,20(24)25)23-21(26)27-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19H,4,13H2,1-3H3,(H,23,26)(H,24,25)/t14-,22?/m0/s1.
What are the key properties of (3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid?
(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid has a molecular weight of 367.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid is sourced from PubChem (CID 155270949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).