(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid

C14H26N2O3S — CID 104909830

IUPAC(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
SMILESCCN(C(=O)N[C@H](CCSC)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O3S/c1-3-16(11-7-5-4-6-8-11)14(19)15-12(13(17)18)9-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m1/s1
InChIKeyXDGIESKXZXVTKY-GFCCVEGCSA-N
MW302.44 g/mol
LogP2.56
Rot. Bonds7

About (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid

(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid (PubChem CID 104909830) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
PubChem CID104909830
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
SMILESCCN(C(=O)N[C@H](CCSC)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O3S/c1-3-16(11-7-5-4-6-8-11)14(19)15-12(13(17)18)9-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m1/s1
InChIKeyXDGIESKXZXVTKY-GFCCVEGCSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid with MolForge

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Related Compounds

2-[[ethyl(piperidin-4-yl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61407947
(2S)-2-[[ethyl(piperidin-4-yl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61408606
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909826
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467
(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976340
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909881
2-(diethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61186777
(2R)-4-amino-2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826230
(2S)-2-(cyclohexanecarbonylamino)-4-methylsulfanylbutanoic acid
CID 40617599
(2R)-2-[[ethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104906564

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid (CID 104909830) is (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid is CCN(C(=O)N[C@H](CCSC)C(=O)O)C1CCCCC1.
What is the InChIKey of (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid?
The InChIKey is XDGIESKXZXVTKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-3-16(11-7-5-4-6-8-11)14(19)15-12(13(17)18)9-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid?
(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid has a molecular weight of 302.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 104909830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).