2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid

C28H24N2O4 — CID 169470914

IUPAC2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C28H24N2O4/c31-27(32)17-30-16-19(20-9-5-6-14-26(20)30)8-7-15-29-28(33)34-18-25-23-12-3-1-10-21(23)22-11-2-4-13-24(22)25/h1-14,16,25H,15,17-18H2,(H,29,33)(H,31,32)
InChIKeyOHRDJQURTDDLMF-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.28
Rot. Bonds7

About 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid

2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid (PubChem CID 169470914) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid
PubChem CID169470914
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC Name2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C28H24N2O4/c31-27(32)17-30-16-19(20-9-5-6-14-26(20)30)8-7-15-29-28(33)34-18-25-23-12-3-1-10-21(23)22-11-2-4-13-24(22)25/h1-14,16,25H,15,17-18H2,(H,29,33)(H,31,32)
InChIKeyOHRDJQURTDDLMF-UHFFFAOYSA-N
XLogP5.28
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
tert-butyl 2-[3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetate
CID 169472974
9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3-hydroxybenzoic acid
CID 169469890
4-chloro-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169469792
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2,4-dihydroxybenzoic acid
CID 169470064
9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169470816
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469085
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid?
The IUPAC name of 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid (CID 169470914) is 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid is O=C(O)Cn1cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21.
What is the InChIKey of 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid?
The InChIKey is OHRDJQURTDDLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4/c31-27(32)17-30-16-19(20-9-5-6-14-26(20)30)8-7-15-29-28(33)34-18-25-23-12-3-1-10-21(23)22-11-2-4-13-24(22)25/h1-14,16,25H,15,17-18H2,(H,29,33)(H,31,32).
What are the key properties of 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid?
2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid has a molecular weight of 452.51 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]indol-1-yl]acetic acid is sourced from PubChem (CID 169470914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).