2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid

C26H22N2O4 — CID 103694695

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid
SMILESO=C(NC(Cc1ccc2cc[nH]c2c1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H22N2O4/c29-25(30)24(14-16-9-10-17-11-12-27-23(17)13-16)28-26(31)32-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-13,22,24,27H,14-15H2,(H,28,31)(H,29,30)
InChIKeyIFRVNUOXOIHDOU-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.70
Rot. Bonds6

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid (PubChem CID 103694695) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid
PubChem CID103694695
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid
SMILESO=C(NC(Cc1ccc2cc[nH]c2c1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H22N2O4/c29-25(30)24(14-16-9-10-17-11-12-27-23(17)13-16)28-26(31)32-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-13,22,24,27H,14-15H2,(H,28,31)(H,29,30)
InChIKeyIFRVNUOXOIHDOU-UHFFFAOYSA-N
XLogP4.70
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indazol-6-yl)propanoic acid
CID 177277351
3-(6-bromonaphthalen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 155896697
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 155905592
3-(9H-carbazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 59814410
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-pyrrol-2-yl)propanoic acid
CID 164517313
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3-phenylphenyl)propanoic acid
CID 53386994
CID 175564084
CID 175564084
3-(4-chloro-3-fluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 90457414
(2S)-3-(3-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 2734448
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxy-4-methylphenyl)propanoic acid
CID 172894185
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-phenyldiazenylphenyl)propanoic acid
CID 15838972
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 68763814

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid (CID 103694695) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid is O=C(NC(Cc1ccc2cc[nH]c2c1)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid?
The InChIKey is IFRVNUOXOIHDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c29-25(30)24(14-16-9-10-17-11-12-27-23(17)13-16)28-26(31)32-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-13,22,24,27H,14-15H2,(H,28,31)(H,29,30).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid has a molecular weight of 426.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-6-yl)propanoic acid is sourced from PubChem (CID 103694695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).