(2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid

C9H14N2O2S2 — CID 14368265

IUPAC(2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid
SMILESNC[C@H](SC[C@H](N)C(=O)O)c1cccs1
InChIInChI=1S/C9H14N2O2S2/c10-4-8(7-2-1-3-14-7)15-5-6(11)9(12)13/h1-3,6,8H,4-5,10-11H2,(H,12,13)/t6-,8-/m0/s1
InChIKeyHGKHXLMGCPGHOQ-XPUUQOCRSA-N
MW246.36 g/mol
LogP0.89
Rot. Bonds6

About (2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid

(2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid (PubChem CID 14368265) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is (2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid
PubChem CID14368265
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name(2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid
SMILESNC[C@H](SC[C@H](N)C(=O)O)c1cccs1
InChIInChI=1S/C9H14N2O2S2/c10-4-8(7-2-1-3-14-7)15-5-6(11)9(12)13/h1-3,6,8H,4-5,10-11H2,(H,12,13)/t6-,8-/m0/s1
InChIKeyHGKHXLMGCPGHOQ-XPUUQOCRSA-N
XLogP0.89
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid (CID 14368265) is (2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid is NC[C@H](SC[C@H](N)C(=O)O)c1cccs1.
What is the InChIKey of (2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid?
The InChIKey is HGKHXLMGCPGHOQ-XPUUQOCRSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c10-4-8(7-2-1-3-14-7)15-5-6(11)9(12)13/h1-3,6,8H,4-5,10-11H2,(H,12,13)/t6-,8-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid has a molecular weight of 246.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(1S)-2-amino-1-thiophen-2-ylethyl]sulfanylpropanoic acid is sourced from PubChem (CID 14368265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).