9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

C29H32N2O4 — CID 42632372

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C29H32N2O4/c1-19(2)27(28(33)30-21(17-32)16-20-10-4-3-5-11-20)31-29(34)35-18-26-24-14-8-6-12-22(24)23-13-7-9-15-25(23)26/h3-15,19,21,26-27,32H,16-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,27+/m1/s1
InChIKeyPSWJKMBKJZVDPN-ZBLYBZFDSA-N
MW472.59 g/mol
LogP4.27
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 42632372) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID42632372
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C29H32N2O4/c1-19(2)27(28(33)30-21(17-32)16-20-10-4-3-5-11-20)31-29(34)35-18-26-24-14-8-6-12-22(24)23-13-7-9-15-25(23)26/h3-15,19,21,26-27,32H,16-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,27+/m1/s1
InChIKeyPSWJKMBKJZVDPN-ZBLYBZFDSA-N
XLogP4.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 42632372) is 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is PSWJKMBKJZVDPN-ZBLYBZFDSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-19(2)27(28(33)30-21(17-32)16-20-10-4-3-5-11-20)31-29(34)35-18-26-24-14-8-6-12-22(24)23-13-7-9-15-25(23)26/h3-15,19,21,26-27,32H,16-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,27+/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 472.59 g/mol, XLogP of 4.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 42632372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).