(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide

C6H13N3O2S — CID 154978208

IUPAC(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide
SMILESCNC(=O)[C@H](CS)NC(=O)CN
InChIInChI=1S/C6H13N3O2S/c1-8-6(11)4(3-12)9-5(10)2-7/h4,12H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1
InChIKeyOADRRKRVCQLULS-BYPYZUCNSA-N
MW191.26 g/mol
LogP-1.89
Rot. Bonds4

About (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide

(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide (PubChem CID 154978208) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide
PubChem CID154978208
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide
SMILESCNC(=O)[C@H](CS)NC(=O)CN
InChIInChI=1S/C6H13N3O2S/c1-8-6(11)4(3-12)9-5(10)2-7/h4,12H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1
InChIKeyOADRRKRVCQLULS-BYPYZUCNSA-N
XLogP-1.89
TPSA84.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminoacetyl)amino]-3-sulfanylpropanoic acid
CID 22342009
2-[2-[(2-aminoacetyl)amino]propanoylamino]-3-sulfanylpropanoic acid
CID 18220896
3-[(2-aminoacetyl)amino]-4-[[1-[(1-carboxy-2-sulfanylethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18486020
(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide
CID 88724377
2-[[2-[[2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoic acid
CID 18486659
(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoic acid
CID 134824593
N,2-dimethyl-3-sulfanylpropanamide
CID 13075016
2-[[2-[[2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
CID 18486645
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
4-[(2-aminoacetyl)amino]-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 18220986
2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoic acid
CID 18492317
(2R)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-sulfanylpropanoic acid
CID 175756908

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide (CID 154978208) is (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide is CNC(=O)[C@H](CS)NC(=O)CN.
What is the InChIKey of (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide?
The InChIKey is OADRRKRVCQLULS-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-8-6(11)4(3-12)9-5(10)2-7/h4,12H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1.
What are the key properties of (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide?
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide has a molecular weight of 191.26 g/mol, XLogP of -1.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 154978208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).