9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate

C21H23NO4 — CID 59837877

IUPAC9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate
SMILESCC(=O)CC[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23NO4/c1-14(24)10-11-15(12-23)22-21(25)26-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20,23H,10-13H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyMBOUCVMEEBDTLC-OAHLLOKOSA-N
MW353.42 g/mol
LogP3.26
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate (PubChem CID 59837877) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate
PubChem CID59837877
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate
SMILESCC(=O)CC[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23NO4/c1-14(24)10-11-15(12-23)22-21(25)26-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20,23H,10-13H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyMBOUCVMEEBDTLC-OAHLLOKOSA-N
XLogP3.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-4-phenylbutan-2-yl]carbamate
CID 155904032
9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
CID 106182465
9H-fluoren-9-ylmethyl N-[(2S)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate
CID 51340618
9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate
CID 165091322
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid
CID 103819744
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263
(3S)-6-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexanoic acid
CID 7010013
9H-fluoren-9-ylmethyl N-[(2R)-1-[methoxy(methyl)amino]-1,5-dioxohexan-2-yl]carbamate
CID 59337601
benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 66600444

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate (CID 59837877) is 9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate is CC(=O)CC[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate?
The InChIKey is MBOUCVMEEBDTLC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14(24)10-11-15(12-23)22-21(25)26-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20,23H,10-13H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate has a molecular weight of 353.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate is sourced from PubChem (CID 59837877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).