[1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium

C5H8NO3STl — CID 145330840

IUPAC[1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium
SMILESCC(S[Tl])C(=O)NCC(=O)O
InChIInChI=1S/C5H9NO3S.Tl/c1-3(10)5(9)6-2-4(7)8;/h3,10H,2H2,1H3,(H,6,9)(H,7,8);/q;+1/p-1
InChIKeyBTRNFHQWHSJDQT-UHFFFAOYSA-M
MW366.57 g/mol
LogP-0.61
Rot. Bonds4

About [1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium

[1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium (PubChem CID 145330840) has the molecular formula C5H8NO3STl and a molecular weight of 366.57 g/mol. Its IUPAC name is [1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium.

Molecular Properties

Compound Name[1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium
PubChem CID145330840
Molecular FormulaC5H8NO3STl
Molecular Weight366.57 g/mol
Exact Mass367.00
IUPAC Name[1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium
SMILESCC(S[Tl])C(=O)NCC(=O)O
InChIInChI=1S/C5H9NO3S.Tl/c1-3(10)5(9)6-2-4(7)8;/h3,10H,2H2,1H3,(H,6,9)(H,7,8);/q;+1/p-1
InChIKeyBTRNFHQWHSJDQT-UHFFFAOYSA-M
XLogP-0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[[1-(carboxymethylamino)-1-oxopropan-2-yl]disulfanyl]propanoylamino]propanoic acid
CID 130279737
2-(2-nitrososulfanylpropanoylamino)acetic acid
CID 100944735
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
2-[2-(4-methylpentanoylsulfanyl)propanoylamino]acetic acid
CID 166142767
2-[2-(2-methylhexan-3-ylsulfanyl)propanoylamino]acetic acid
CID 91361696
2-[[(2R)-2,3-dimethylbutanoyl]amino]acetic acid;sulfane
CID 161158592
2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
2-[(3,3,3-trideuterio-2-sulfanylpropanoyl)amino]acetic acid
CID 45040535
2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane
CID 143300236
2-[2-(propanoyloxymethoxycarbonylsulfanyl)propanoylamino]acetic acid
CID 129126868
2-[2-(oxane-4-carbonylsulfanyl)propanoylamino]acetic acid
CID 166142768

Frequently Asked Questions

What is the IUPAC name of [1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium?
The IUPAC name of [1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium (CID 145330840) is [1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium.
What is the SMILES notation for [1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium?
The canonical SMILES for [1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium is CC(S[Tl])C(=O)NCC(=O)O.
What is the InChIKey of [1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium?
The InChIKey is BTRNFHQWHSJDQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO3S.Tl/c1-3(10)5(9)6-2-4(7)8;/h3,10H,2H2,1H3,(H,6,9)(H,7,8);/q;+1/p-1.
What are the key properties of [1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium?
[1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium has a molecular weight of 366.57 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carboxymethylamino)-1-oxopropan-2-yl]sulfanylthallium is sourced from PubChem (CID 145330840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).