(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid

C22H25NO4 — CID 17040097

IUPAC(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
SMILESCC(C)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO4/c1-14(2)20(11-12-21(24)25)23-22(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t20-/m1/s1
InChIKeyOUZCJOWFPXNEOV-HXUWFJFHSA-N
MW367.45 g/mol
LogP4.41
Rot. Bonds7

About (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid

(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid (PubChem CID 17040097) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid.

Molecular Properties

Compound Name(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
PubChem CID17040097
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
SMILESCC(C)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO4/c1-14(2)20(11-12-21(24)25)23-22(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t20-/m1/s1
InChIKeyOUZCJOWFPXNEOV-HXUWFJFHSA-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 (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic 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)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 135015195
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 67333230
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894
(3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid
CID 165499514
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]oxybutanoic acid
CID 23387371
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[1-(1-methoxyethoxy)ethoxy]-5-oxopentanoic acid
CID 67935182
9H-fluoren-9-ylmethyl N-[(2R)-1-tert-butylsulfanyl-3-methylbutan-2-yl]carbamate
CID 165172999
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 75628880

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid?
The IUPAC name of (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid (CID 17040097) is (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid.
What is the SMILES notation for (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid?
The canonical SMILES for (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid is CC(C)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid?
The InChIKey is OUZCJOWFPXNEOV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25NO4/c1-14(2)20(11-12-21(24)25)23-22(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t20-/m1/s1.
What are the key properties of (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid?
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic 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 (4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid is sourced from PubChem (CID 17040097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).