(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid

C10H20N2O6S — CID 119238322

IUPAC(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
SMILESCC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H20N2O6S/c1-7(2)18-4-5-19(16,17)11-6-9(13)12-8(3)10(14)15/h7-8,11H,4-6H2,1-3H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyMKSLWZLOSJSICY-QMMMGPOBSA-N
MW296.35 g/mol
LogP-1.08
Rot. Bonds9

About (2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid

(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid (PubChem CID 119238322) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is (2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
PubChem CID119238322
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Name(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
SMILESCC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H20N2O6S/c1-7(2)18-4-5-19(16,17)11-6-9(13)12-8(3)10(14)15/h7-8,11H,4-6H2,1-3H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyMKSLWZLOSJSICY-QMMMGPOBSA-N
XLogP-1.08
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic 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

2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119349059
(E)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]hex-4-enoic acid
CID 120692493
4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]benzoic acid
CID 119177738
N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 119527626
4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229868
N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119527625
N-(3-aminopropyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119405243
N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
CID 115674519
2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid
CID 119201955
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 119572623
2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 104683008
2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
CID 119352057

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid (CID 119238322) is (2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid is CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid?
The InChIKey is MKSLWZLOSJSICY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-7(2)18-4-5-19(16,17)11-6-9(13)12-8(3)10(14)15/h7-8,11H,4-6H2,1-3H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid?
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid has a molecular weight of 296.35 g/mol, XLogP of -1.08, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 119238322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).