2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid

C11H19NO3S — CID 43082977

IUPAC2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid
SMILESCC(SCC(=O)O)C(=O)NC1CCCCC1
InChIInChI=1S/C11H19NO3S/c1-8(16-7-10(13)14)11(15)12-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyFKXXWCCAQCTQIO-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.64
Rot. Bonds5

About 2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid

2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid (PubChem CID 43082977) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid
PubChem CID43082977
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid
SMILESCC(SCC(=O)O)C(=O)NC1CCCCC1
InChIInChI=1S/C11H19NO3S/c1-8(16-7-10(13)14)11(15)12-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyFKXXWCCAQCTQIO-UHFFFAOYSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43385473
2-(2-aminopropylsulfanyl)-N-cyclopentylpropanamide
CID 66219669
N-cyclopentyl-2-methylsulfanylpropanamide
CID 126996006
[3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide
CID 54589865
N-cyclohexyl-2-silylpropanamide
CID 123581134
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579029
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
(2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide
CID 95125590
N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide
CID 60541745
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid (CID 43082977) is 2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid is CC(SCC(=O)O)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
The InChIKey is FKXXWCCAQCTQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-8(16-7-10(13)14)11(15)12-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid?
2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid has a molecular weight of 245.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid is sourced from PubChem (CID 43082977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).