4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid

C11H18N2O4S — CID 114116894

IUPAC4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
SMILESCSC1(CNC(=O)N2CCOCC2C(=O)O)CC1
InChIInChI=1S/C11H18N2O4S/c1-18-11(2-3-11)7-12-10(16)13-4-5-17-6-8(13)9(14)15/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyYUPBLVPAYQYUBZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.38
Rot. Bonds4

About 4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid

4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid (PubChem CID 114116894) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
PubChem CID114116894
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
SMILESCSC1(CNC(=O)N2CCOCC2C(=O)O)CC1
InChIInChI=1S/C11H18N2O4S/c1-18-11(2-3-11)7-12-10(16)13-4-5-17-6-8(13)9(14)15/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyYUPBLVPAYQYUBZ-UHFFFAOYSA-N
XLogP0.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 113364388
4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid
CID 113363829
2-methyl-1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 114116876
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669
4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 114131758
4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid
CID 103995566
4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid
CID 106097979
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436758
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid
CID 114388503
4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 103994441
3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 83095827

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid (CID 114116894) is 4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid is CSC1(CNC(=O)N2CCOCC2C(=O)O)CC1.
What is the InChIKey of 4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid?
The InChIKey is YUPBLVPAYQYUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-18-11(2-3-11)7-12-10(16)13-4-5-17-6-8(13)9(14)15/h8H,2-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid?
4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 114116894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).