4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid

C11H18N2O3S — CID 82908258

IUPAC4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid
SMILESCC(C(=O)NC1CC1)N1CCSCC1C(=O)O
InChIInChI=1S/C11H18N2O3S/c1-7(10(14)12-8-2-3-8)13-4-5-17-6-9(13)11(15)16/h7-9H,2-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyCMRIDBAFETZFNY-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.16
Rot. Bonds4

About 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid

4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid (PubChem CID 82908258) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid
PubChem CID82908258
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid
SMILESCC(C(=O)NC1CC1)N1CCSCC1C(=O)O
InChIInChI=1S/C11H18N2O3S/c1-7(10(14)12-8-2-3-8)13-4-5-17-6-9(13)11(15)16/h7-9H,2-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyCMRIDBAFETZFNY-UHFFFAOYSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(ethylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid
CID 82905784
4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid
CID 82906329
4-[(1,1-dioxothian-4-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904143
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid
CID 106745113
(4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187556
N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306
4-(3-aminobutanoyl)thiomorpholine-3-carboxylic acid
CID 82904428
1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908292
4-(but-3-yn-2-ylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 114418393
2-[3-(hydroxymethyl)thiomorpholin-4-yl]propanoic acid
CID 131008220
4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82906389
4-(2-methylbutylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82906431

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid (CID 82908258) is 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid is CC(C(=O)NC1CC1)N1CCSCC1C(=O)O.
What is the InChIKey of 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid?
The InChIKey is CMRIDBAFETZFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-7(10(14)12-8-2-3-8)13-4-5-17-6-9(13)11(15)16/h7-9H,2-6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid?
4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82908258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).