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

C7H15N3O4S — CID 90991659

IUPAC(2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid
SMILESNC/C=N/CCS(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C7H15N3O4S/c8-1-2-10-3-4-15(13,14)5-6(9)7(11)12/h2,6H,1,3-5,8-9H2,(H,11,12)/b10-2+/t6-/m0/s1
InChIKeyRCNSKUPPMCYYLW-PJSPPHEBSA-N
MW237.28 g/mol
LogP-2.16
Rot. Bonds7

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

(2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid (PubChem CID 90991659) has the molecular formula C7H15N3O4S and a molecular weight of 237.28 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid
PubChem CID90991659
Molecular FormulaC7H15N3O4S
Molecular Weight237.28 g/mol
Exact Mass237.08
IUPAC Name(2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid
SMILESNC/C=N/CCS(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C7H15N3O4S/c8-1-2-10-3-4-15(13,14)5-6(9)7(11)12/h2,6H,1,3-5,8-9H2,(H,11,12)/b10-2+/t6-/m0/s1
InChIKeyRCNSKUPPMCYYLW-PJSPPHEBSA-N
XLogP-2.16
TPSA135.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(carboxymethylsulfonyl)propanoic acid
CID 4309092
calcium;(2S)-2-amino-3-sulfopropanoic acid;hydride
CID 173179874
2-amino-3-methylsulfonylpropanoic acid;hydrochloride
CID 138111044
2-amino-3-benzylsulfonylpropanoic acid
CID 4142691
2-amino-3-sulfopropanoic acid;butanedioic acid
CID 174432635
2,3-diaminopropanoic acid
CID 160927094
(2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid
CID 89124021
2-amino-3-(2-ethylsulfonylethylsulfanyl)propanoic acid
CID 43807856
(2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid
CID 70945668
2-amino-4-(hydrazinylmethylideneamino)butanoic acid
CID 3014815
2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid
CID 89124334
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid (CID 90991659) is (2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid is NC/C=N/CCS(=O)(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid?
The InChIKey is RCNSKUPPMCYYLW-PJSPPHEBSA-N. The full InChI is InChI=1S/C7H15N3O4S/c8-1-2-10-3-4-15(13,14)5-6(9)7(11)12/h2,6H,1,3-5,8-9H2,(H,11,12)/b10-2+/t6-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid?
(2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid has a molecular weight of 237.28 g/mol, XLogP of -2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-(2-aminoethylideneamino)ethylsulfonyl]propanoic acid is sourced from PubChem (CID 90991659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).