methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate

C23H21NO5 — CID 75488005

IUPACmethyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccco1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21NO5/c1-27-22(25)21(13-15-7-6-12-28-15)24-23(26)29-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-12,20-21H,13-14H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyNAWVPXUDAWFNGX-OAQYLSRUSA-N
MW391.42 g/mol
LogP3.90
Rot. Bonds6

About methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate

methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate (PubChem CID 75488005) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate
PubChem CID75488005
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Namemethyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccco1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21NO5/c1-27-22(25)21(13-15-7-6-12-28-15)24-23(26)29-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-12,20-21H,13-14H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyNAWVPXUDAWFNGX-OAQYLSRUSA-N
XLogP3.90
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate 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

methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
CID 134850345
(2S)-2-[[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoyl]amino]carbamoylamino]-4-methylpentanoic acid
CID 175927385
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoate
CID 66893735
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-iodobutanoate
CID 91667085
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
CID 10569941
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1,3-thiazol-4-yl)propanoate
CID 75488006
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(hydroxyamino)hexanoate
CID 138961408
methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
CID 14460596
CID 101120722
CID 101120722
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
CID 131873978
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-fluoro-3-pyridinyl)propanoate
CID 118347527

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate?
The IUPAC name of methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate (CID 75488005) is methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate?
The canonical SMILES for methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate is COC(=O)[C@@H](Cc1ccco1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate?
The InChIKey is NAWVPXUDAWFNGX-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21NO5/c1-27-22(25)21(13-15-7-6-12-28-15)24-23(26)29-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-12,20-21H,13-14H2,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate?
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate has a molecular weight of 391.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate is sourced from PubChem (CID 75488005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).