9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate

C20H22N2O4 — CID 161493438

IUPAC9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate
SMILESNC(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCO
InChIInChI=1S/C20H22N2O4/c21-18(19(24)9-10-23)11-22-20(25)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,23H,9-12,21H2,(H,22,25)
InChIKeyCVKZIVOIKGUTJN-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.80
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate

9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate (PubChem CID 161493438) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate
PubChem CID161493438
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate
SMILESNC(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCO
InChIInChI=1S/C20H22N2O4/c21-18(19(24)9-10-23)11-22-20(25)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,23H,9-12,21H2,(H,22,25)
InChIKeyCVKZIVOIKGUTJN-UHFFFAOYSA-N
XLogP1.80
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate
CID 159979208
(2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-hydroxypropanoic acid
CID 118704938
methyl (3S)-3-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 11784622
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-hydroxyethylamino)-4-oxobutanoic acid
CID 167170098
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 134528524
9H-fluoren-9-ylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
CID 17039577

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate (CID 161493438) is 9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate is NC(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCO.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate?
The InChIKey is CVKZIVOIKGUTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c21-18(19(24)9-10-23)11-22-20(25)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,23H,9-12,21H2,(H,22,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate?
9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate has a molecular weight of 354.41 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate is sourced from PubChem (CID 161493438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).