2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine

C6H14I2N2O2S — CID 159887720

IUPAC2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine
SMILESCC(CN)SCC(N)C(=O)O.II
InChIInChI=1S/C6H14N2O2S.I2/c1-4(2-7)11-3-5(8)6(9)10;1-2/h4-5H,2-3,7-8H2,1H3,(H,9,10);
InChIKeyNUIQVJNTTAMGBW-UHFFFAOYSA-N
MW432.07 g/mol
LogP1.25
Rot. Bonds5

About 2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine

2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine (PubChem CID 159887720) has the molecular formula C6H14I2N2O2S and a molecular weight of 432.07 g/mol. Its IUPAC name is 2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine.

Molecular Properties

Compound Name2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine
PubChem CID159887720
Molecular FormulaC6H14I2N2O2S
Molecular Weight432.07 g/mol
Exact Mass431.89
IUPAC Name2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine
SMILESCC(CN)SCC(N)C(=O)O.II
InChIInChI=1S/C6H14N2O2S.I2/c1-4(2-7)11-3-5(8)6(9)10;1-2/h4-5H,2-3,7-8H2,1H3,(H,9,10);
InChIKeyNUIQVJNTTAMGBW-UHFFFAOYSA-N
XLogP1.25
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.07
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 28744671
(2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid
CID 165347808
(2S)-2-amino-3-(1-amino-2-oxopropyl)sulfanylpropanoic acid
CID 87664921
2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid
CID 139470028
2,3-diaminopropanoic acid
CID 160927094
(2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 61141480
propan-2-yl 2-(1-aminopropan-2-ylsulfanyl)acetate
CID 66241823
1-(1-aminopropan-2-ylsulfanyl)butan-2-ol
CID 66218600
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;selane
CID 174366423
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;cadmium
CID 167531179
(2R)-2-amino-3-aminosulfanylpropanoic acid
CID 102214571
(2S)-2-amino-3-aminosulfanylpropanoic acid
CID 175881815

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine?
The IUPAC name of 2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine (CID 159887720) is 2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine.
What is the SMILES notation for 2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine?
The canonical SMILES for 2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine is CC(CN)SCC(N)C(=O)O.II.
What is the InChIKey of 2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine?
The InChIKey is NUIQVJNTTAMGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.I2/c1-4(2-7)11-3-5(8)6(9)10;1-2/h4-5H,2-3,7-8H2,1H3,(H,9,10);.
What are the key properties of 2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine?
2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine has a molecular weight of 432.07 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine is sourced from PubChem (CID 159887720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).