2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid

C11H20N2O5 — CID 65221683

IUPAC2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid
SMILESCCOC(=O)CCNC(=O)NCC(CC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-8(10(15)16)7-13-11(17)12-6-5-9(14)18-4-2/h8H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyRMZQEHBABQJZQS-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.35
Rot. Bonds8

About 2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid

2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid (PubChem CID 65221683) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid
PubChem CID65221683
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid
SMILESCCOC(=O)CCNC(=O)NCC(CC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-8(10(15)16)7-13-11(17)12-6-5-9(14)18-4-2/h8H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyRMZQEHBABQJZQS-UHFFFAOYSA-N
XLogP0.35
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid
CID 65222904
2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid
CID 65221246
ethyl 3-(2-propylpentanoylamino)propanoate
CID 23363631
2-[[2-(dimethylcarbamoylamino)ethylcarbamoylamino]methyl]butanoic acid
CID 83114358
2-[[2-(3-methylbutoxy)ethylcarbamoylamino]methyl]butanoic acid
CID 65222324
3-[[(4-ethoxy-4-oxobutyl)carbamoylamino]methyl]pentanoic acid
CID 81069528
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid
CID 65223178
2-[(prop-2-ynylcarbamoylamino)methyl]butanoic acid
CID 65217556
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
2-[[3-(methylamino)propanoylamino]methyl]butanoic acid
CID 65224493
2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid
CID 106341409

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid?
The IUPAC name of 2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid (CID 65221683) is 2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid?
The canonical SMILES for 2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid is CCOC(=O)CCNC(=O)NCC(CC)C(=O)O.
What is the InChIKey of 2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid?
The InChIKey is RMZQEHBABQJZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-3-8(10(15)16)7-13-11(17)12-6-5-9(14)18-4-2/h8H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid?
2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid is sourced from PubChem (CID 65221683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).