9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate

C19H19NO4 — CID 172641441

IUPAC9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate
SMILESCC(O)C(C=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19NO4/c1-12(22)18(10-21)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-10,12,17-18,22H,11H2,1H3,(H,20,23)
InChIKeyLGGWEWKYUCYGGQ-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.47
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate

9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate (PubChem CID 172641441) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate
PubChem CID172641441
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate
SMILESCC(O)C(C=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19NO4/c1-12(22)18(10-21)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-10,12,17-18,22H,11H2,1H3,(H,20,23)
InChIKeyLGGWEWKYUCYGGQ-UHFFFAOYSA-N
XLogP2.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
CID 101486184
CID 101486184
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
CID 101120722
CID 101120722
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
CID 4712559
tert-butyl (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoate
CID 11773868

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate (CID 172641441) is 9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate is CC(O)C(C=O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate?
The InChIKey is LGGWEWKYUCYGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12(22)18(10-21)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-10,12,17-18,22H,11H2,1H3,(H,20,23).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate?
9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate has a molecular weight of 325.36 g/mol, XLogP of 2.47, 5 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-(3-hydroxy-1-oxobutan-2-yl)carbamate is sourced from PubChem (CID 172641441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).