2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid

C10H17NO3S — CID 104569015

IUPAC2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCCCN(C(=O)CSCC(=O)O)C1CC1
InChIInChI=1S/C10H17NO3S/c1-2-5-11(8-3-4-8)9(12)6-15-7-10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyACBBRIPBLGVZHR-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.21
Rot. Bonds7

About 2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 104569015) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID104569015
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCCCN(C(=O)CSCC(=O)O)C1CC1
InChIInChI=1S/C10H17NO3S/c1-2-5-11(8-3-4-8)9(12)6-15-7-10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyACBBRIPBLGVZHR-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
CID 43270140
2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569016
N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride
CID 119824316
N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
CID 119823659
2-[2-(dicyclohexylamino)-2-oxoethyl]sulfanylacetic acid
CID 115569413
N-cyclopropyl-N-propylcarbamoyl bromide
CID 140982146
N-cyclopropyl-2-(1-methylcyclopropyl)-N-propylacetamide
CID 143729568
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62821983
4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437610
N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide
CID 58376768
2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide
CID 66219814

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid (CID 104569015) is 2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid is CCCN(C(=O)CSCC(=O)O)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is ACBBRIPBLGVZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-2-5-11(8-3-4-8)9(12)6-15-7-10(13)14/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 231.32 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104569015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).