2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid

C10H20N2O5S — CID 113364483

IUPAC2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCC(C)S(C)=O
InChIInChI=1S/C10H20N2O5S/c1-8(18(3)16)6-11-10(15)12(4-5-17-2)7-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyNVTQFALEHKVSLM-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.50
Rot. Bonds8

About 2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid

2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid (PubChem CID 113364483) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid
PubChem CID113364483
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCC(C)S(C)=O
InChIInChI=1S/C10H20N2O5S/c1-8(18(3)16)6-11-10(15)12(4-5-17-2)7-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyNVTQFALEHKVSLM-UHFFFAOYSA-N
XLogP-0.50
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666
2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79272017
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 79271343
2-[(1-amino-1-oxopropan-2-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272265
4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158774
2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271931
3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668666
2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271258
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271724
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid (CID 113364483) is 2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NCC(C)S(C)=O.
What is the InChIKey of 2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid?
The InChIKey is NVTQFALEHKVSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-8(18(3)16)6-11-10(15)12(4-5-17-2)7-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid?
2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid has a molecular weight of 280.35 g/mol, XLogP of -0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 113364483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).