2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid

C27H32N2O6 — CID 165485648

IUPAC2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid
SMILESCCCC(CC(=O)N1CCOCC1CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H32N2O6/c1-2-7-18(14-25(30)29-12-13-34-16-19(29)15-26(31)32)28-27(33)35-17-24-22-10-5-3-8-20(22)21-9-4-6-11-23(21)24/h3-6,8-11,18-19,24H,2,7,12-17H2,1H3,(H,28,33)(H,31,32)
InChIKeyIOOGRJOGMHIJPQ-UHFFFAOYSA-N
MW480.56 g/mol
LogP3.79
Rot. Bonds9

About 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid

2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid (PubChem CID 165485648) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid
PubChem CID165485648
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid
SMILESCCCC(CC(=O)N1CCOCC1CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H32N2O6/c1-2-7-18(14-25(30)29-12-13-34-16-19(29)15-26(31)32)28-27(33)35-17-24-22-10-5-3-8-20(22)21-9-4-6-11-23(21)24/h3-6,8-11,18-19,24H,2,7,12-17H2,1H3,(H,28,33)(H,31,32)
InChIKeyIOOGRJOGMHIJPQ-UHFFFAOYSA-N
XLogP3.79
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic 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-[(2R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]acetic acid
CID 165481439
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid
CID 165461626
3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]hexanoic acid
CID 178193346
(3R,4R)-1-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 178193047
(3R,4R)-1-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 178198448
(3S)-4-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 171703009
(3S)-3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]hexanoic acid
CID 178191911
prop-2-enyl 3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropoxy]methyl]morpholine-4-carboxylate
CID 175558580
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
CID 2761612

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid (CID 165485648) is 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid is CCCC(CC(=O)N1CCOCC1CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid?
The InChIKey is IOOGRJOGMHIJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-2-7-18(14-25(30)29-12-13-34-16-19(29)15-26(31)32)28-27(33)35-17-24-22-10-5-3-8-20(22)21-9-4-6-11-23(21)24/h3-6,8-11,18-19,24H,2,7,12-17H2,1H3,(H,28,33)(H,31,32).
What are the key properties of 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid?
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid has a molecular weight of 480.56 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 165485648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).