2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid

C14H19NO4S — CID 65442281

IUPAC2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCC(NC(=O)CSCC1(CC(=O)O)CC1)c1ccco1
InChIInChI=1S/C14H19NO4S/c1-10(11-3-2-6-19-11)15-12(16)8-20-9-14(4-5-14)7-13(17)18/h2-3,6,10H,4-5,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyCOBUQZRFRYIZHZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.44
Rot. Bonds8

About 2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid

2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65442281) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65442281
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCC(NC(=O)CSCC1(CC(=O)O)CC1)c1ccco1
InChIInChI=1S/C14H19NO4S/c1-10(11-3-2-6-19-11)15-12(16)8-20-9-14(4-5-14)7-13(17)18/h2-3,6,10H,4-5,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyCOBUQZRFRYIZHZ-UHFFFAOYSA-N
XLogP2.44
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81409013
2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 66289051
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43402811
2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
2-[1-[[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65442695
N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 66139067
2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid
CID 79851604
2-(1-aminocyclohexyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400282
2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 95279801

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid (CID 65442281) is 2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid is CC(NC(=O)CSCC1(CC(=O)O)CC1)c1ccco1.
What is the InChIKey of 2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is COBUQZRFRYIZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10(11-3-2-6-19-11)15-12(16)8-20-9-14(4-5-14)7-13(17)18/h2-3,6,10H,4-5,7-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).