2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid

C10H18N2O4S — CID 81223270

IUPAC2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid
SMILESCC(C)NC(=O)NC(=O)CSC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-6(2)11-9(16)12-7(13)5-17-10(3,4)8(14)15/h6H,5H2,1-4H3,(H,14,15)(H2,11,12,13,16)
InChIKeyRVTFCGUPLQEGGT-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.82
Rot. Bonds5

About 2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid

2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid (PubChem CID 81223270) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid
PubChem CID81223270
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid
SMILESCC(C)NC(=O)NC(=O)CSC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O4S/c1-6(2)11-9(16)12-7(13)5-17-10(3,4)8(14)15/h6H,5H2,1-4H3,(H,14,15)(H2,11,12,13,16)
InChIKeyRVTFCGUPLQEGGT-UHFFFAOYSA-N
XLogP0.82
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66218210
3-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbutanoic acid
CID 105353998
4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43242280
2-tert-butylsulfanyl-N-propan-2-ylacetamide
CID 126656909
2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid
CID 79790704
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81228466
2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid
CID 79268934
2-[2-(butylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 79015465
2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43238211
(2S)-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]propanoic acid
CID 83193774
2-methyl-2-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylpropanoic acid
CID 81223688
methyl 2-[1-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107775883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid?
The IUPAC name of 2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid (CID 81223270) is 2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid is CC(C)NC(=O)NC(=O)CSC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid?
The InChIKey is RVTFCGUPLQEGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-6(2)11-9(16)12-7(13)5-17-10(3,4)8(14)15/h6H,5H2,1-4H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid?
2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid has a molecular weight of 262.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid is sourced from PubChem (CID 81223270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).