(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid

C8H17NO4S — CID 106727678

IUPAC(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
SMILESCC(C)S(=O)(=O)CCN[C@H](C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-6(2)14(12,13)5-4-9-7(3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t7-/m1/s1
InChIKeyHSOVVPQAUFGFAW-SSDOTTSWSA-N
MW223.29 g/mol
LogP-0.13
Rot. Bonds6

About (2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid

(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid (PubChem CID 106727678) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is (2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
PubChem CID106727678
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
SMILESCC(C)S(=O)(=O)CCN[C@H](C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-6(2)14(12,13)5-4-9-7(3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t7-/m1/s1
InChIKeyHSOVVPQAUFGFAW-SSDOTTSWSA-N
XLogP-0.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2-propan-2-ylsulfonylethylamino)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-ethylsulfonylethylamino)propanoic acid
CID 43808018
4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid
CID 106727471
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
(2S)-2-(but-3-ynylamino)propanoic acid
CID 83194577
(2R)-2-(but-3-ynylamino)propanoic acid
CID 83194835
4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol
CID 113434724
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531
1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103912531
3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 104578148

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid?
The IUPAC name of (2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid (CID 106727678) is (2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid?
The canonical SMILES for (2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid is CC(C)S(=O)(=O)CCN[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid?
The InChIKey is HSOVVPQAUFGFAW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-6(2)14(12,13)5-4-9-7(3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid?
(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid has a molecular weight of 223.29 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid is sourced from PubChem (CID 106727678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).