2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid

C13H27N3O4 — CID 79271724

IUPAC2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C13H27N3O4/c1-10(2)11(8-15(3)4)14-13(19)16(6-7-20-5)9-12(17)18/h10-11H,6-9H2,1-5H3,(H,14,19)(H,17,18)
InChIKeyLZTVDHLTXPSNBP-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.32
Rot. Bonds9

About 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid

2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 79271724) has the molecular formula C13H27N3O4 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID79271724
Molecular FormulaC13H27N3O4
Molecular Weight289.38 g/mol
Exact Mass289.20
IUPAC Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C13H27N3O4/c1-10(2)11(8-15(3)4)14-13(19)16(6-7-20-5)9-12(17)18/h10-11H,6-9H2,1-5H3,(H,14,19)(H,17,18)
InChIKeyLZTVDHLTXPSNBP-UHFFFAOYSA-N
XLogP0.32
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79270901
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
2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271931
2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid
CID 61479072
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-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 65048420
2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79272017
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid
CID 61479113
2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid
CID 113364483
2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid
CID 61471634

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid (CID 79271724) is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NC(CN(C)C)C(C)C.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is LZTVDHLTXPSNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4/c1-10(2)11(8-15(3)4)14-13(19)16(6-7-20-5)9-12(17)18/h10-11H,6-9H2,1-5H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid?
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79271724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).