9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate

C23H30N2O4 — CID 123216737

IUPAC9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate
SMILESCC(C)(CCOC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)ON
InChIInChI=1S/C23H30N2O4/c1-22(2,29-24)13-14-28-23(3,4)25-21(26)27-15-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,20H,13-15,24H2,1-4H3,(H,25,26)
InChIKeyANVDOAMYUNUVJY-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.34
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate (PubChem CID 123216737) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate
PubChem CID123216737
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate
SMILESCC(C)(CCOC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)ON
InChIInChI=1S/C23H30N2O4/c1-22(2,29-24)13-14-28-23(3,4)25-21(26)27-15-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,20H,13-15,24H2,1-4H3,(H,25,26)
InChIKeyANVDOAMYUNUVJY-UHFFFAOYSA-N
XLogP4.34
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 6950285
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 63310465
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131697971
9H-fluoren-9-ylmethyl N-(1-fluoro-2-methyl-1-oxobutan-2-yl)carbamate
CID 10315254
(2,3,4,5,6-pentafluorophenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 56777312
3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 104866483
9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
CID 158290286
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid
CID 155270949
9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 149150407
9H-fluoren-9-ylmethyl N-[5-[(2-methylpropan-2-yl)oxy]pentyl]carbamate
CID 176788717

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate (CID 123216737) is 9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate is CC(C)(CCOC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)ON.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate?
The InChIKey is ANVDOAMYUNUVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-22(2,29-24)13-14-28-23(3,4)25-21(26)27-15-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,20H,13-15,24H2,1-4H3,(H,25,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate has a molecular weight of 398.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-(3-aminooxy-3-methylbutoxy)propan-2-yl]carbamate is sourced from PubChem (CID 123216737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).