2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid

C21H24N2O6S — CID 155235730

IUPAC2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid
SMILESC[C@@H](CN(CC(=O)O)S(C)(=O)=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H24N2O6S/c1-14(11-23(12-20(24)25)30(2,27)28)22-21(26)29-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,11-13H2,1-2H3,(H,22,26)(H,24,25)/t14-/m0/s1
InChIKeyKWWWDPOFXQRJTO-AWEZNQCLSA-N
MW432.50 g/mol
LogP2.26
Rot. Bonds8

About 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid

2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid (PubChem CID 155235730) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid
PubChem CID155235730
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid
SMILESC[C@@H](CN(CC(=O)O)S(C)(=O)=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H24N2O6S/c1-14(11-23(12-20(24)25)30(2,27)28)22-21(26)29-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,11-13H2,1-2H3,(H,22,26)(H,24,25)/t14-/m0/s1
InChIKeyKWWWDPOFXQRJTO-AWEZNQCLSA-N
XLogP2.26
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
CID 4712559
3-(dimethylamino)-2-[[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]propanoic acid
CID 165458917
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(2-sulfamoylethylamino)butanoic acid
CID 165485918
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid?
The IUPAC name of 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid (CID 155235730) is 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid is C[C@@H](CN(CC(=O)O)S(C)(=O)=O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid?
The InChIKey is KWWWDPOFXQRJTO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-14(11-23(12-20(24)25)30(2,27)28)22-21(26)29-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,11-13H2,1-2H3,(H,22,26)(H,24,25)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid?
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid has a molecular weight of 432.50 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-methylsulfonylamino]acetic acid is sourced from PubChem (CID 155235730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).