(2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid

C9H17N3O4S — CID 61141983

IUPAC(2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
SMILESCCNC(=O)NC(=O)C(C)SC[C@H](N)C(=O)O
InChIInChI=1S/C9H17N3O4S/c1-3-11-9(16)12-7(13)5(2)17-4-6(10)8(14)15/h5-6H,3-4,10H2,1-2H3,(H,14,15)(H2,11,12,13,16)/t5?,6-/m0/s1
InChIKeyGNJXNSSBXHUEDG-GDVGLLTNSA-N
MW263.32 g/mol
LogP-0.63
Rot. Bonds6

About (2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid

(2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid (PubChem CID 61141983) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is (2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
PubChem CID61141983
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC Name(2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
SMILESCCNC(=O)NC(=O)C(C)SC[C@H](N)C(=O)O
InChIInChI=1S/C9H17N3O4S/c1-3-11-9(16)12-7(13)5(2)17-4-6(10)8(14)15/h5-6H,3-4,10H2,1-2H3,(H,14,15)(H2,11,12,13,16)/t5?,6-/m0/s1
InChIKeyGNJXNSSBXHUEDG-GDVGLLTNSA-N
XLogP-0.63
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 61141480
3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-4-(ethylamino)-4-oxobutanoic acid
CID 145373151
2-amino-3-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43385473
(2S)-2-amino-3-(ethylcarbamoylsulfanyl)propanoic acid
CID 2817324
2-[(4-chlorophenyl)methylsulfanyl]-N-(ethylcarbamoyl)propanamide
CID 16523768
3-[1-(carbamoylamino)-1-oxopropan-2-yl]sulfanyl-2-methylpropanoic acid
CID 64914905
N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide
CID 65418371
(2S)-2-amino-3-[(2R)-butan-2-yl]sulfanylpropanoic acid
CID 28744671
2-amino-N-ethyl-3-ethylsulfanylpropanamide
CID 13059396
3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43466733
2-amino-N,N'-diethylpropanediamide
CID 88901749
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid (CID 61141983) is (2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid is CCNC(=O)NC(=O)C(C)SC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid?
The InChIKey is GNJXNSSBXHUEDG-GDVGLLTNSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-3-11-9(16)12-7(13)5(2)17-4-6(10)8(14)15/h5-6H,3-4,10H2,1-2H3,(H,14,15)(H2,11,12,13,16)/t5?,6-/m0/s1.
What are the key properties of (2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid?
(2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid has a molecular weight of 263.32 g/mol, XLogP of -0.63, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid is sourced from PubChem (CID 61141983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).