(2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid

C6H11NO4S — CID 87532574

IUPAC(2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid
SMILESCN(C(=O)O)[C@@](C)(CS)C(=O)O
InChIInChI=1S/C6H11NO4S/c1-6(3-12,4(8)9)7(2)5(10)11/h12H,3H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKeyUYXCBPYFZPYLNO-LURJTMIESA-N
MW193.22 g/mol
LogP0.37
Rot. Bonds3

About (2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid

(2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid (PubChem CID 87532574) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is (2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid
PubChem CID87532574
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name(2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid
SMILESCN(C(=O)O)[C@@](C)(CS)C(=O)O
InChIInChI=1S/C6H11NO4S/c1-6(3-12,4(8)9)7(2)5(10)11/h12H,3H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKeyUYXCBPYFZPYLNO-LURJTMIESA-N
XLogP0.37
TPSA77.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methyl-2-[methyl(phosphonomethyl)amino]-3-sulfanylpropanoic acid
CID 25153758
[4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid
CID 88887807
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
CID 88755093
CID 175912914
CID 175912914
2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511
2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid
CID 114988949
2-(diethylamino)-2-methylbutanoic acid
CID 43803567
[1-(carboxyamino)-1-methylsulfanylethyl]-methylcarbamic acid
CID 87123597
[(2R)-2-carboxy-1-sulfanylpropan-2-yl]-oxidoazanium
CID 141412610
2-(dimethylamino)-2-methyltetradecanoic acid
CID 11565995
(2S)-2-[ethyl(methyl)amino]-2-methylpentanedioic acid
CID 167494380
2-[butyl(methyl)amino]-2-methylbutanoic acid
CID 114988987

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid (CID 87532574) is (2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid is CN(C(=O)O)[C@@](C)(CS)C(=O)O.
What is the InChIKey of (2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid?
The InChIKey is UYXCBPYFZPYLNO-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO4S/c1-6(3-12,4(8)9)7(2)5(10)11/h12H,3H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1.
What are the key properties of (2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid?
(2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid has a molecular weight of 193.22 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid is sourced from PubChem (CID 87532574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).