5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid

C11H22N2O3S — CID 112662505

IUPAC5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid
SMILESCSCCN(C)C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C11H22N2O3S/c1-9(5-4-6-10(14)15)12-11(16)13(2)7-8-17-3/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyGNNBBKGBYKLEJE-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.63
Rot. Bonds8

About 5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid

5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid (PubChem CID 112662505) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid
PubChem CID112662505
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid
SMILESCSCCN(C)C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C11H22N2O3S/c1-9(5-4-6-10(14)15)12-11(16)13(2)7-8-17-3/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyGNNBBKGBYKLEJE-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
CID 106917295
(2R)-4-methyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]pentanoic acid
CID 103955202
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
5-[(2-methylsulfanylacetyl)amino]hexanoic acid
CID 82854400
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]hexanoic acid
CID 105419701
5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
CID 82844825
(2R)-3,3-dimethyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]butanoic acid
CID 103955197
3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 61181719

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid (CID 112662505) is 5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid is CSCCN(C)C(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid?
The InChIKey is GNNBBKGBYKLEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(5-4-6-10(14)15)12-11(16)13(2)7-8-17-3/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid?
5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid has a molecular weight of 262.37 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 112662505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).