ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate

C10H18N2O4S — CID 29378721

IUPACethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate
SMILESCCOC(=O)CS[C@@H](C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C10H18N2O4S/c1-4-16-7(13)5-17-8(6(2)3)9(14)12-10(11)15/h6,8H,4-5H2,1-3H3,(H3,11,12,14,15)/t8-/m1/s1
InChIKeyCJYMALRZHVHHOQ-MRVPVSSYSA-N
MW262.33 g/mol
LogP0.50
Rot. Bonds6

About ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate

ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate (PubChem CID 29378721) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate
PubChem CID29378721
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Nameethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate
SMILESCCOC(=O)CS[C@@H](C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C10H18N2O4S/c1-4-16-7(13)5-17-8(6(2)3)9(14)12-10(11)15/h6,8H,4-5H2,1-3H3,(H3,11,12,14,15)/t8-/m1/s1
InChIKeyCJYMALRZHVHHOQ-MRVPVSSYSA-N
XLogP0.50
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-oxopentan-2-ylsulfanyl)acetate
CID 64866091
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671920
(2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide
CID 8580236
ethyl 2-(1,1,1-trifluoropropan-2-ylsulfanyl)acetate
CID 134832826
2-(2-methoxy-2-oxoethyl)sulfanyl-3-methylbutanoic acid
CID 43617838
2-[3-(carbamoylamino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354164
ethyl 2-[(2S)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate
CID 7121062
N-carbamoyl-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide
CID 42978169
N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide
CID 42900284
(2S)-2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 7252858
N-carbamoyl-2-propan-2-ylhexanamide
CID 175202627
2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 17404735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate?
The IUPAC name of ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate (CID 29378721) is ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate?
The canonical SMILES for ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate is CCOC(=O)CS[C@@H](C(=O)NC(N)=O)C(C)C.
What is the InChIKey of ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate?
The InChIKey is CJYMALRZHVHHOQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-4-16-7(13)5-17-8(6(2)3)9(14)12-10(11)15/h6,8H,4-5H2,1-3H3,(H3,11,12,14,15)/t8-/m1/s1.
What are the key properties of ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate?
ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate has a molecular weight of 262.33 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanylacetate is sourced from PubChem (CID 29378721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).