2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid

C10H18N2O3S — CID 60930107

IUPAC2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
SMILESCC(SCCC(N)C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C10H18N2O3S/c1-6(9(13)12-7-2-3-7)16-5-4-8(11)10(14)15/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyUAXKBGPUVWPURA-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.19
Rot. Bonds7

About 2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid

2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid (PubChem CID 60930107) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
PubChem CID60930107
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
SMILESCC(SCCC(N)C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C10H18N2O3S/c1-6(9(13)12-7-2-3-7)16-5-4-8(11)10(14)15/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyUAXKBGPUVWPURA-UHFFFAOYSA-N
XLogP0.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43385473
2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide
CID 110901065
2-(2-aminopropylsulfanyl)-N-cyclopentylpropanamide
CID 66219669
2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid
CID 54933661
2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107755865
(2S)-2-amino-3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 107773263
2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid
CID 66139313
CID 173007920
CID 173007920
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid
CID 43082977
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
2-amino-4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 60930347

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid?
The IUPAC name of 2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid (CID 60930107) is 2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid.
What is the SMILES notation for 2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid?
The canonical SMILES for 2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid is CC(SCCC(N)C(=O)O)C(=O)NC1CC1.
What is the InChIKey of 2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid?
The InChIKey is UAXKBGPUVWPURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-6(9(13)12-7-2-3-7)16-5-4-8(11)10(14)15/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid?
2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid has a molecular weight of 246.33 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid is sourced from PubChem (CID 60930107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).