9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate

C26H24N2O3 — CID 71024265

IUPAC9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
SMILESO=C(NC(CO)Cc1c[nH]c2ccccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24N2O3/c29-15-18(13-17-14-27-25-12-6-5-7-19(17)25)28-26(30)31-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,14,18,24,27,29H,13,15-16H2,(H,28,30)
InChIKeyTYDUDYNHTCJBHI-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.61
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate (PubChem CID 71024265) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
PubChem CID71024265
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
SMILESO=C(NC(CO)Cc1c[nH]c2ccccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24N2O3/c29-15-18(13-17-14-27-25-12-6-5-7-19(17)25)28-26(30)31-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,14,18,24,27,29H,13,15-16H2,(H,28,30)
InChIKeyTYDUDYNHTCJBHI-UHFFFAOYSA-N
XLogP4.61
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(1H-indol-3-yl)pentanoic acid
CID 2756075
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
CID 131873978
(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
CID 11006463
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(1H-indol-3-yl)propanoic acid
CID 156757873
9H-fluoren-9-ylmethyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
CID 19047824
[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropyl] acetate
CID 42630937
ethyl (2S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoate
CID 175853114
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
(4-phenylmethoxyphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
CID 71311538
tert-butyl N-[(2S)-1-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 68958640
(2R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-(1H-indol-3-yl)pentanoic acid
CID 57355811
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid;2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methyl-1H-indol-3-yl)propanoic acid;9H-fluoren-9-ylmethyl 2-hydroxyacetate
CID 91581270

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate (CID 71024265) is 9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate is O=C(NC(CO)Cc1c[nH]c2ccccc12)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate?
The InChIKey is TYDUDYNHTCJBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c29-15-18(13-17-14-27-25-12-6-5-7-19(17)25)28-26(30)31-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,14,18,24,27,29H,13,15-16H2,(H,28,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate has a molecular weight of 412.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 71024265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).