methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate

C27H27NO6 — CID 170834742

IUPACmethyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C27H27NO6/c1-33-25(30)14-17-7-6-8-18(13-17)26(31)24(29)15-28-27(32)34-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-13,23-24,26,29,31H,14-16H2,1H3,(H,28,32)
InChIKeyGZDOBTWNYDJKHF-UHFFFAOYSA-N
MW461.51 g/mol
LogP3.34
Rot. Bonds8

About methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate

methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate (PubChem CID 170834742) has the molecular formula C27H27NO6 and a molecular weight of 461.51 g/mol. Its IUPAC name is methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate
PubChem CID170834742
Molecular FormulaC27H27NO6
Molecular Weight461.51 g/mol
Exact Mass461.18
IUPAC Namemethyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C27H27NO6/c1-33-25(30)14-17-7-6-8-18(13-17)26(31)24(29)15-28-27(32)34-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-13,23-24,26,29,31H,14-16H2,1H3,(H,28,32)
InChIKeyGZDOBTWNYDJKHF-UHFFFAOYSA-N
XLogP3.34
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate 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-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate
CID 170834973
9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-4-methylphenyl]propyl]carbamate
CID 170834112
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propyl]carbamate
CID 170834115
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-isothiocyanatophenyl)propyl]carbamate
CID 170834186
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834495
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833941
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833963
9H-fluoren-9-ylmethyl N-[3-(3-chloro-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833770
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate
CID 170834215
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid
CID 170834715

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate (CID 170834742) is methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate is COC(=O)Cc1cccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate?
The InChIKey is GZDOBTWNYDJKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO6/c1-33-25(30)14-17-7-6-8-18(13-17)26(31)24(29)15-28-27(32)34-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-13,23-24,26,29,31H,14-16H2,1H3,(H,28,32).
What are the key properties of methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate?
methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate has a molecular weight of 461.51 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate is sourced from PubChem (CID 170834742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).