2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid

C11H19N3O6 — CID 63645647

IUPAC2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)CNC(=O)NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H19N3O6/c1-7(2)3-12-11(20)13-8(15)4-14(5-9(16)17)6-10(18)19/h7H,3-6H2,1-2H3,(H,16,17)(H,18,19)(H2,12,13,15,20)
InChIKeyVDCOXJYFHIJVQI-UHFFFAOYSA-N
MW289.29 g/mol
LogP-1.06
Rot. Bonds8

About 2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid

2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 63645647) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
PubChem CID63645647
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)CNC(=O)NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H19N3O6/c1-7(2)3-12-11(20)13-8(15)4-14(5-9(16)17)6-10(18)19/h7H,3-6H2,1-2H3,(H,16,17)(H,18,19)(H2,12,13,15,20)
InChIKeyVDCOXJYFHIJVQI-UHFFFAOYSA-N
XLogP-1.06
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262438
2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 107440295
2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63646632
2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 107440755
methyl 3-[ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]propanoate
CID 62026422
3-[2-carboxyethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327299
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61008829
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 78964889
2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 102241734
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 120872551
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 81491077
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 62015752

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid (CID 63645647) is 2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid is CC(C)CNC(=O)NC(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is VDCOXJYFHIJVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-7(2)3-12-11(20)13-8(15)4-14(5-9(16)17)6-10(18)19/h7H,3-6H2,1-2H3,(H,16,17)(H,18,19)(H2,12,13,15,20).
What are the key properties of 2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 289.29 g/mol, XLogP of -1.06, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 63645647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).