5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid

C11H20N2O4S — CID 63958104

IUPAC5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid
SMILESCSCC(C)CNC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C11H20N2O4S/c1-8(7-18-2)6-12-11(17)13-9(14)4-3-5-10(15)16/h8H,3-7H2,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyGWJLSRQIRHFVAK-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.07
Rot. Bonds8

About 5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid

5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 63958104) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID63958104
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid
SMILESCSCC(C)CNC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C11H20N2O4S/c1-8(7-18-2)6-12-11(17)13-9(14)4-3-5-10(15)16/h8H,3-7H2,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyGWJLSRQIRHFVAK-UHFFFAOYSA-N
XLogP1.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methyl-3-methylsulfanylpropyl)amino]-6-oxohexanoic acid
CID 63980810
6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid
CID 102906601
4-[(2-methyl-3-methylsulfanylpropyl)amino]butanoic acid
CID 63966932
2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid
CID 63957321
5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 113287624
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 63957312
5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide
CID 107910118
4,4-dimethyl-6-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]hexanoic acid
CID 65288816
(2S)-2-hydroxy-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 107840060
5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 43533623
5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid
CID 28931731
1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
CID 115624328

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid (CID 63958104) is 5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid is CSCC(C)CNC(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is GWJLSRQIRHFVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-8(7-18-2)6-12-11(17)13-9(14)4-3-5-10(15)16/h8H,3-7H2,1-2H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid?
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 276.36 g/mol, XLogP of 1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 63958104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).