2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate

C19H18NO4- — CID 6950285

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
SMILESCC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]
InChIInChI=1S/C19H19NO4/c1-19(2,17(21)22)20-18(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22)/p-1
InChIKeyHOZZVEPRYYCBTO-UHFFFAOYSA-M
MW324.36 g/mol
LogP2.05
Rot. Bonds4

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate (PubChem CID 6950285) has the molecular formula C19H18NO4- and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
PubChem CID6950285
Molecular FormulaC19H18NO4-
Molecular Weight324.36 g/mol
Exact Mass324.12
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
SMILESCC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]
InChIInChI=1S/C19H19NO4/c1-19(2,17(21)22)20-18(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22)/p-1
InChIKeyHOZZVEPRYYCBTO-UHFFFAOYSA-M
XLogP2.05
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3,4,5,6-pentafluorophenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 56777312
benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate
CID 15384394
3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 104866483
(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-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
(2S)-3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 154724956
methyl (2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]-methylamino]-3-methylbutanoate
CID 102417698
Se-(2-formylphenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropaneselenoate
CID 140685282
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate (CID 6950285) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate is CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-].
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate?
The InChIKey is HOZZVEPRYYCBTO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H19NO4/c1-19(2,17(21)22)20-18(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22)/p-1.
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate has a molecular weight of 324.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate is sourced from PubChem (CID 6950285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).