2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid

C12H25N3O4 — CID 55127012

IUPAC2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCCN(C)CCOC
InChIInChI=1S/C12H25N3O4/c1-5-10(11(16)17)15(3)12(18)13-6-7-14(2)8-9-19-4/h10H,5-9H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyVVTVTGNGHZLSAC-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.07
Rot. Bonds9

About 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid

2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid (PubChem CID 55127012) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid
PubChem CID55127012
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC Name2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCCN(C)CCOC
InChIInChI=1S/C12H25N3O4/c1-5-10(11(16)17)15(3)12(18)13-6-7-14(2)8-9-19-4/h10H,5-9H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyVVTVTGNGHZLSAC-UHFFFAOYSA-N
XLogP0.07
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid
CID 62851164
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid
CID 114162542
2-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 115605846
2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid
CID 65221921
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethoxy]acetic acid
CID 62842947
2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
CID 82951996
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569874
(2R)-2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927982
2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid
CID 103249699
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-oxobut-2-enoic acid
CID 76950647
4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 129046478
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid?
The IUPAC name of 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid (CID 55127012) is 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid.
What is the SMILES notation for 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid?
The canonical SMILES for 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)NCCN(C)CCOC.
What is the InChIKey of 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid?
The InChIKey is VVTVTGNGHZLSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-5-10(11(16)17)15(3)12(18)13-6-7-14(2)8-9-19-4/h10H,5-9H2,1-4H3,(H,13,18)(H,16,17).
What are the key properties of 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid?
2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid has a molecular weight of 275.35 g/mol, XLogP of 0.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid is sourced from PubChem (CID 55127012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).