(2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid

C10H19N3O3S — CID 11537313

IUPAC(2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid
SMILESCC(=O)C[C@](N)(CSCC/N=C(\C)N)C(=O)O
InChIInChI=1S/C10H19N3O3S/c1-7(14)5-10(12,9(15)16)6-17-4-3-13-8(2)11/h3-6,12H2,1-2H3,(H2,11,13)(H,15,16)/t10-/m0/s1
InChIKeyBAOWSOLYQOXDQW-JTQLQIEISA-N
MW261.35 g/mol
LogP-0.14
Rot. Bonds8

About (2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid

(2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid (PubChem CID 11537313) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is (2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid
PubChem CID11537313
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name(2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid
SMILESCC(=O)C[C@](N)(CSCC/N=C(\C)N)C(=O)O
InChIInChI=1S/C10H19N3O3S/c1-7(14)5-10(12,9(15)16)6-17-4-3-13-8(2)11/h3-6,12H2,1-2H3,(H2,11,13)(H,15,16)/t10-/m0/s1
InChIKeyBAOWSOLYQOXDQW-JTQLQIEISA-N
XLogP-0.14
TPSA118.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid?
The IUPAC name of (2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid (CID 11537313) is (2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid.
What is the SMILES notation for (2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid?
The canonical SMILES for (2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid is CC(=O)C[C@](N)(CSCC/N=C(\C)N)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid?
The InChIKey is BAOWSOLYQOXDQW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-7(14)5-10(12,9(15)16)6-17-4-3-13-8(2)11/h3-6,12H2,1-2H3,(H2,11,13)(H,15,16)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid?
(2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid has a molecular weight of 261.35 g/mol, XLogP of -0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[2-(1-aminoethylideneamino)ethylsulfanylmethyl]-4-oxopentanoic acid is sourced from PubChem (CID 11537313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).