[1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid

C27H25NO6 — CID 171983390

IUPAC[1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESCCOC(=O)C(NC(=O)O)C(OC(=O)CC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C27H25NO6/c1-2-33-26(30)24(28-27(31)32)25(17-10-4-3-5-11-17)34-23(29)16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22/h3-15,22,24-25,28H,2,16H2,1H3,(H,31,32)
InChIKeySOWKCFFALWYFQD-UHFFFAOYSA-N
MW459.50 g/mol
LogP4.67
Rot. Bonds8

About [1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid

[1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid (PubChem CID 171983390) has the molecular formula C27H25NO6 and a molecular weight of 459.50 g/mol. Its IUPAC name is [1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid
PubChem CID171983390
Molecular FormulaC27H25NO6
Molecular Weight459.50 g/mol
Exact Mass459.17
IUPAC Name[1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESCCOC(=O)C(NC(=O)O)C(OC(=O)CC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C27H25NO6/c1-2-33-26(30)24(28-27(31)32)25(17-10-4-3-5-11-17)34-23(29)16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22/h3-15,22,24-25,28H,2,16H2,1H3,(H,31,32)
InChIKeySOWKCFFALWYFQD-UHFFFAOYSA-N
XLogP4.67
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic 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

[(1R,2S)-3-ethoxy-3-oxo-1-phenyl-2-[(2-phenylacetyl)amino]propyl] tetradecanoate
CID 11353182
ethyl 2-[(2,2-dichloroacetyl)amino]-3-(2,2-dichloroacetyl)oxy-3-phenylpropanoate
CID 3111052
ethyl 3-phenyl-3-(2-phenylacetyl)oxy-2-(tetradecanoylamino)propanoate
CID 3115798
ethyl 3-(3-bromopropanoyloxy)-3-phenyl-2-(prop-2-enoylamino)propanoate
CID 3111053
[(2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid
CID 171600883
ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate
CID 71740166
[3-ethoxy-3-oxo-2-[(9-oxofluoren-2-yl)sulfonylamino]-1-phenylpropyl] pentanoate
CID 3111047
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-diphenylpropanoate
CID 75488026
ethyl 2-(1,3-dioxoinden-2-yl)acetate
CID 13130488
(2R)-2-[[3-ethoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropanoyl]amino]-3-methylbutanoic acid
CID 165494965
ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate
CID 141437716
ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate
CID 102039959

Frequently Asked Questions

What is the IUPAC name of [1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The IUPAC name of [1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid (CID 171983390) is [1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid is CCOC(=O)C(NC(=O)O)C(OC(=O)CC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of [1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The InChIKey is SOWKCFFALWYFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO6/c1-2-33-26(30)24(28-27(31)32)25(17-10-4-3-5-11-17)34-23(29)16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22/h3-15,22,24-25,28H,2,16H2,1H3,(H,31,32).
What are the key properties of [1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid?
[1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 459.50 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethoxy-3-[2-(9H-fluoren-9-yl)acetyl]oxy-1-oxo-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 171983390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).