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

C11H19NO3S — CID 65441689

IUPAC2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCCNC(=O)C(C)SCC1(CC(=O)O)CC1
InChIInChI=1S/C11H19NO3S/c1-3-12-10(15)8(2)16-7-11(4-5-11)6-9(13)14/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyVUYKYIILVCRSAY-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.50
Rot. Bonds7

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

2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65441689) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65441689
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCCNC(=O)C(C)SCC1(CC(=O)O)CC1
InChIInChI=1S/C11H19NO3S/c1-3-12-10(15)8(2)16-7-11(4-5-11)6-9(13)14/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyVUYKYIILVCRSAY-UHFFFAOYSA-N
XLogP1.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid (CID 65441689) is 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid is CCNC(=O)C(C)SCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is VUYKYIILVCRSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-3-12-10(15)8(2)16-7-11(4-5-11)6-9(13)14/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 245.34 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65441689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).