2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid

C12H22N2O5 — CID 119189683

IUPAC2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCCC(=O)N(C)C
InChIInChI=1S/C12H22N2O5/c1-13(2)10(15)5-4-6-11(16)14(7-8-19-3)9-12(17)18/h4-9H2,1-3H3,(H,17,18)
InChIKeyYZURNNVGLQBUIP-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.20
Rot. Bonds9

About 2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid

2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189683) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119189683
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCCC(=O)N(C)C
InChIInChI=1S/C12H22N2O5/c1-13(2)10(15)5-4-6-11(16)14(7-8-19-3)9-12(17)18/h4-9H2,1-3H3,(H,17,18)
InChIKeyYZURNNVGLQBUIP-UHFFFAOYSA-N
XLogP-0.20
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid
CID 119189224
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
3-methoxy-N,N-dimethylpropanamide
CID 159478663
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide
CID 55121481
2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119189335
2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119348164
2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methoxyethyl)amino]acetic acid
CID 79269851
N',N'-bis(2-hydroxyethyl)-N,N-dimethylpentanediamide
CID 169291277
3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897564

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid (CID 119189683) is 2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)CCCC(=O)N(C)C.
What is the InChIKey of 2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is YZURNNVGLQBUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-13(2)10(15)5-4-6-11(16)14(7-8-19-3)9-12(17)18/h4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid?
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of -0.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).