4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid

C11H23N3O4 — CID 55126918

IUPAC4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
SMILESCOCCN(C)CCNC(=O)NCCCC(=O)O
InChIInChI=1S/C11H23N3O4/c1-14(8-9-18-2)7-6-13-11(17)12-5-3-4-10(15)16/h3-9H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyJXMQUSXLVAFYRM-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.27
Rot. Bonds10

About 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid

4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid (PubChem CID 55126918) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
PubChem CID55126918
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
SMILESCOCCN(C)CCNC(=O)NCCCC(=O)O
InChIInChI=1S/C11H23N3O4/c1-14(8-9-18-2)7-6-13-11(17)12-5-3-4-10(15)16/h3-9H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyJXMQUSXLVAFYRM-UHFFFAOYSA-N
XLogP-0.27
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid
CID 62850101
3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid
CID 62851164
4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 129046478
6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide
CID 62848521
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]acetate
CID 62851170
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
4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
CID 61300129
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-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 115605846

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid?
The IUPAC name of 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid (CID 55126918) is 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid is COCCN(C)CCNC(=O)NCCCC(=O)O.
What is the InChIKey of 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid?
The InChIKey is JXMQUSXLVAFYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-14(8-9-18-2)7-6-13-11(17)12-5-3-4-10(15)16/h3-9H2,1-2H3,(H,15,16)(H2,12,13,17).
What are the key properties of 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid?
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid has a molecular weight of 261.32 g/mol, XLogP of -0.27, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 55126918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).