4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid

C28H29NO6 — CID 170835035

IUPAC4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H29NO6/c30-25(27(33)19-14-12-18(13-15-19)6-5-11-26(31)32)16-29-28(34)35-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-4,7-10,12-15,24-25,27,30,33H,5-6,11,16-17H2,(H,29,34)(H,31,32)
InChIKeyYOBGZFPGIBLASZ-UHFFFAOYSA-N
MW475.54 g/mol
LogP4.03
Rot. Bonds10

About 4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid

4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid (PubChem CID 170835035) has the molecular formula C28H29NO6 and a molecular weight of 475.54 g/mol. Its IUPAC name is 4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid
PubChem CID170835035
Molecular FormulaC28H29NO6
Molecular Weight475.54 g/mol
Exact Mass475.20
IUPAC Name4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H29NO6/c30-25(27(33)19-14-12-18(13-15-19)6-5-11-26(31)32)16-29-28(34)35-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-4,7-10,12-15,24-25,27,30,33H,5-6,11,16-17H2,(H,29,34)(H,31,32)
InChIKeyYOBGZFPGIBLASZ-UHFFFAOYSA-N
XLogP4.03
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propyl]carbamate
CID 170834115
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate
CID 170834215
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-iodophenyl)propyl]carbamate
CID 170835442
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170835144
9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834099
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid
CID 170834715
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-methylsulfanylphenyl)propyl]carbamate
CID 170833717
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-phenylphenyl)propyl]carbamate
CID 170834973
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-nitrophenyl]acetic acid
CID 170835132
9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170834905

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid?
The IUPAC name of 4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid (CID 170835035) is 4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid is O=C(O)CCCc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid?
The InChIKey is YOBGZFPGIBLASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO6/c30-25(27(33)19-14-12-18(13-15-19)6-5-11-26(31)32)16-29-28(34)35-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-4,7-10,12-15,24-25,27,30,33H,5-6,11,16-17H2,(H,29,34)(H,31,32).
What are the key properties of 4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid?
4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid has a molecular weight of 475.54 g/mol, XLogP of 4.03, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid is sourced from PubChem (CID 170835035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).