2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid

C13H21NO4S — CID 65443671

IUPAC2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid
SMILESCC(SCC1(CC(=O)O)CC1)C(=O)N1CCOCC1
InChIInChI=1S/C13H21NO4S/c1-10(12(17)14-4-6-18-7-5-14)19-9-13(2-3-13)8-11(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyZCYNORJVTJZNAB-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.22
Rot. Bonds6

About 2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid

2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65443671) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65443671
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid
SMILESCC(SCC1(CC(=O)O)CC1)C(=O)N1CCOCC1
InChIInChI=1S/C13H21NO4S/c1-10(12(17)14-4-6-18-7-5-14)19-9-13(2-3-13)8-11(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyZCYNORJVTJZNAB-UHFFFAOYSA-N
XLogP1.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid with MolForge

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Related Compounds

2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one
CID 66289069
2-[4-(2-methylpropyl)oxan-4-yl]acetic acid
CID 83819264
2-[1-(oxan-4-ylsulfanylmethyl)cyclopropyl]acetic acid
CID 65442485
2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododec-10-yl)pentanoic acid
CID 3095235
2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid
CID 81167706
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
2-[2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-oxoethoxy]acetic acid
CID 113408335
2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 107266231

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid (CID 65443671) is 2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid is CC(SCC1(CC(=O)O)CC1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is ZCYNORJVTJZNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-10(12(17)14-4-6-18-7-5-14)19-9-13(2-3-13)8-11(15)16/h10H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 287.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65443671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).