2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid

C13H27N3O4 — CID 65221921

IUPAC2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCCN(C)CCOC)C(=O)O
InChIInChI=1S/C13H27N3O4/c1-4-5-11(12(17)18)10-15-13(19)14-6-7-16(2)8-9-20-3/h11H,4-10H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyGLVWZLFSBCEMQC-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.36
Rot. Bonds11

About 2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid

2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid (PubChem CID 65221921) has the molecular formula C13H27N3O4 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid
PubChem CID65221921
Molecular FormulaC13H27N3O4
Molecular Weight289.38 g/mol
Exact Mass289.20
IUPAC Name2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCCN(C)CCOC)C(=O)O
InChIInChI=1S/C13H27N3O4/c1-4-5-11(12(17)18)10-15-13(19)14-6-7-16(2)8-9-20-3/h11H,4-10H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyGLVWZLFSBCEMQC-UHFFFAOYSA-N
XLogP0.36
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid
CID 65223178
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
CID 55126918
2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65221138
(2R)-2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927982
2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474332
7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid
CID 62850101
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]acetate
CID 62851170
2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid
CID 55127012
2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid
CID 65226423
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
2-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 115605846

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid (CID 65221921) is 2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)NCCN(C)CCOC)C(=O)O.
What is the InChIKey of 2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is GLVWZLFSBCEMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4/c1-4-5-11(12(17)18)10-15-13(19)14-6-7-16(2)8-9-20-3/h11H,4-10H2,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid?
2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 289.38 g/mol, XLogP of 0.36, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 65221921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).