(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid

C10H19N3O5S — CID 107822215

IUPAC(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
SMILESCSCCC(NC(N)=O)C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H19N3O5S/c1-19-5-3-6(13-10(11)18)8(15)12-7(2-4-14)9(16)17/h6-7,14H,2-5H2,1H3,(H,12,15)(H,16,17)(H3,11,13,18)/t6?,7-/m0/s1
InChIKeyBRPOMIUKABSAJS-MLWJPKLSSA-N
MW293.35 g/mol
LogP-1.27
Rot. Bonds9

About (2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid

(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid (PubChem CID 107822215) has the molecular formula C10H19N3O5S and a molecular weight of 293.35 g/mol. Its IUPAC name is (2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
PubChem CID107822215
Molecular FormulaC10H19N3O5S
Molecular Weight293.35 g/mol
Exact Mass293.10
IUPAC Name(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
SMILESCSCCC(NC(N)=O)C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H19N3O5S/c1-19-5-3-6(13-10(11)18)8(15)12-7(2-4-14)9(16)17/h6-7,14H,2-5H2,1H3,(H,12,15)(H,16,17)(H3,11,13,18)/t6?,7-/m0/s1
InChIKeyBRPOMIUKABSAJS-MLWJPKLSSA-N
XLogP-1.27
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-1.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
CID 61151608
(2R)-5-amino-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid
CID 107829909
4-amino-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
CID 43171450
(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107824859
(2R)-2-[[(2R)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 133109042
2-[[2-[[2-(2-aminopropanoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 18237590
(2S)-2-[(2-acetamido-4-methylsulfanylbutanoyl)amino]-4-methylsulfanylbutanoic acid
CID 161310625
(2S)-2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 61153726
(2R)-2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 104906157
2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
CID 79027563
5-amino-2-[[5-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 18742028
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
CID 18224029

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid (CID 107822215) is (2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid is CSCCC(NC(N)=O)C(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is BRPOMIUKABSAJS-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-19-5-3-6(13-10(11)18)8(15)12-7(2-4-14)9(16)17/h6-7,14H,2-5H2,1H3,(H,12,15)(H,16,17)(H3,11,13,18)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid?
(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 293.35 g/mol, XLogP of -1.27, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107822215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).