2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid

C12H24N2O4 — CID 79271343

IUPAC2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC(C)CC(C)C
InChIInChI=1S/C12H24N2O4/c1-9(2)7-10(3)13-12(17)14(5-6-18-4)8-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyYVSNRUYMQZXCBC-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.16
Rot. Bonds8

About 2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid

2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 79271343) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
PubChem CID79271343
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC(C)CC(C)C
InChIInChI=1S/C12H24N2O4/c1-9(2)7-10(3)13-12(17)14(5-6-18-4)8-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyYVSNRUYMQZXCBC-UHFFFAOYSA-N
XLogP1.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79270901
2-[(1-amino-1-oxopropan-2-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272265
2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271931
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271724
2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79272272
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid
CID 79270902
2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid
CID 113364483
2-[pentan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 61182212
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid (CID 79271343) is 2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NC(C)CC(C)C.
What is the InChIKey of 2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is YVSNRUYMQZXCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-9(2)7-10(3)13-12(17)14(5-6-18-4)8-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid?
2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 260.33 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79271343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).