(2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid

C9H19N3O2S — CID 139915802

IUPAC(2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid
SMILESCCC(CSC[C@H](N)C(=O)O)/N=C(\C)N
InChIInChI=1S/C9H19N3O2S/c1-3-7(12-6(2)10)4-15-5-8(11)9(13)14/h7-8H,3-5,11H2,1-2H3,(H2,10,12)(H,13,14)/t7?,8-/m0/s1
InChIKeyHUIOWHBSXZVJPV-MQWKRIRWSA-N
MW233.34 g/mol
LogP0.29
Rot. Bonds7

About (2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid

(2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid (PubChem CID 139915802) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid
PubChem CID139915802
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name(2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid
SMILESCCC(CSC[C@H](N)C(=O)O)/N=C(\C)N
InChIInChI=1S/C9H19N3O2S/c1-3-7(12-6(2)10)4-15-5-8(11)9(13)14/h7-8H,3-5,11H2,1-2H3,(H2,10,12)(H,13,14)/t7?,8-/m0/s1
InChIKeyHUIOWHBSXZVJPV-MQWKRIRWSA-N
XLogP0.29
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
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acetic acid;(2R)-2-aminobutanoic acid
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(2S)-2-amino-3-(2-methylpentylsulfanyl)propanoic acid
CID 107773647
(2R)-2-amino-3-(2,2-dimethoxyethylsulfanyl)propanoic acid
CID 54312308
2-amino-3-[(2S)-2-carboxy-2-(diethylamino)ethyl]sulfanylpropanoic acid
CID 57257580
(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid
CID 107772991
(2S)-2-amino-3-(methylsulfanylmethylsulfanyl)propanoic acid
CID 15000213
2-aminobutanoic acid;sulfane
CID 162128083
aluminum 2-aminobutanoic acid
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2-aminobutanoic acid;ethane
CID 90764297

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid (CID 139915802) is (2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid is CCC(CSC[C@H](N)C(=O)O)/N=C(\C)N.
What is the InChIKey of (2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid?
The InChIKey is HUIOWHBSXZVJPV-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-3-7(12-6(2)10)4-15-5-8(11)9(13)14/h7-8H,3-5,11H2,1-2H3,(H2,10,12)(H,13,14)/t7?,8-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid?
(2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid has a molecular weight of 233.34 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-(1-aminoethylideneamino)butylsulfanyl]propanoic acid is sourced from PubChem (CID 139915802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).