9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate

C17H16ClNO4S — CID 98105588

IUPAC9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate
SMILESN[C@@H](CS(=O)(=O)Cl)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16ClNO4S/c18-24(21,22)10-16(19)17(20)23-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,19H2/t16-/m0/s1
InChIKeyMKIMMLAKRPUKFX-INIZCTEOSA-N
MW365.84 g/mol
LogP2.24
Rot. Bonds5

About 9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate

9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate (PubChem CID 98105588) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate
PubChem CID98105588
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC Name9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate
SMILESN[C@@H](CS(=O)(=O)Cl)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16ClNO4S/c18-24(21,22)10-16(19)17(20)23-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,19H2/t16-/m0/s1
InChIKeyMKIMMLAKRPUKFX-INIZCTEOSA-N
XLogP2.24
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxobutane-1-sulfonic acid
CID 121480433
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxobutane-1-sulfonic acid
CID 121480446
(2R)-2-[amino(phenyl)methyl]-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
CID 57371029

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate (CID 98105588) is 9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate is N[C@@H](CS(=O)(=O)Cl)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate?
The InChIKey is MKIMMLAKRPUKFX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c18-24(21,22)10-16(19)17(20)23-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,19H2/t16-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate?
9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate has a molecular weight of 365.84 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2R)-2-amino-3-chlorosulfonylpropanoate is sourced from PubChem (CID 98105588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).