9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate

C20H23NO3 — CID 175476365

IUPAC9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate
SMILESCC(C)[C@](N)(CO)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO3/c1-13(2)20(21,12-22)19(23)24-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,22H,11-12,21H2,1-2H3/t20-/m1/s1
InChIKeyPNDIFQCGJHKGLE-HXUWFJFHSA-N
MW325.41 g/mol
LogP2.69
Rot. Bonds5

About 9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate

9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate (PubChem CID 175476365) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate
PubChem CID175476365
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate
SMILESCC(C)[C@](N)(CO)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO3/c1-13(2)20(21,12-22)19(23)24-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,22H,11-12,21H2,1-2H3/t20-/m1/s1
InChIKeyPNDIFQCGJHKGLE-HXUWFJFHSA-N
XLogP2.69
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
(2S,3S)-2-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-3-methoxybutanoic acid
CID 56923842
2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
CID 69036626
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl 2-but-2-enyl-2-methylhex-4-enoate
CID 161425763
2-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-7-[(2-methylpropan-2-yl)oxy]-7-oxoheptanoic acid
CID 71435354
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid
CID 53394998
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate (CID 175476365) is 9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate is CC(C)[C@](N)(CO)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate?
The InChIKey is PNDIFQCGJHKGLE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13(2)20(21,12-22)19(23)24-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,22H,11-12,21H2,1-2H3/t20-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate?
9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate has a molecular weight of 325.41 g/mol, XLogP of 2.69, 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 (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate is sourced from PubChem (CID 175476365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).