(1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate

C7H16N2O2S — CID 139681743

IUPAC(1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate
SMILESCC(C)(CN)OC(=O)[C@@H](N)CS
InChIInChI=1S/C7H16N2O2S/c1-7(2,4-8)11-6(10)5(9)3-12/h5,12H,3-4,8-9H2,1-2H3/t5-/m0/s1
InChIKeyQORCQKJSKGEUTC-YFKPBYRVSA-N
MW192.28 g/mol
LogP-0.48
Rot. Bonds4

About (1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate

(1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate (PubChem CID 139681743) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate
PubChem CID139681743
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate
SMILESCC(C)(CN)OC(=O)[C@@H](N)CS
InChIInChI=1S/C7H16N2O2S/c1-7(2,4-8)11-6(10)5(9)3-12/h5,12H,3-4,8-9H2,1-2H3/t5-/m0/s1
InChIKeyQORCQKJSKGEUTC-YFKPBYRVSA-N
XLogP-0.48
TPSA78.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

[3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate
CID 101477503
(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate
CID 139681751
(1-amino-2-methylpropan-2-yl) acetate
CID 20827160
(1-amino-2-methylpropan-2-yl) acetate;hydrochloride
CID 86587340
(2R)-2-amino-3-sulfanylpropaneperoxoic acid
CID 91512911
[(2R)-2-amino-3-sulfanylpropanoyl]oxycarbonyl (2R)-2-amino-3-sulfanylpropanoate
CID 174802205
(1-amino-2-methylpropan-2-yl) 3-aminopropanoate
CID 142053345
(trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate
CID 175665124
acetyl (2R)-2-amino-3-sulfanylpropanoate;azane
CID 87963097
[(2R)-2-amino-3-sulfanylpropanoyl]oxycarbonyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride
CID 174802204
3-methylbutan-2-yl (2R)-2-amino-3-sulfanylpropanoate
CID 107774194
sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride
CID 173279188

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate?
The IUPAC name of (1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate (CID 139681743) is (1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate?
The canonical SMILES for (1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate is CC(C)(CN)OC(=O)[C@@H](N)CS.
What is the InChIKey of (1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate?
The InChIKey is QORCQKJSKGEUTC-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(2,4-8)11-6(10)5(9)3-12/h5,12H,3-4,8-9H2,1-2H3/t5-/m0/s1.
What are the key properties of (1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate?
(1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate has a molecular weight of 192.28 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate is sourced from PubChem (CID 139681743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).