2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid

C11H20N2O5 — CID 65221246

IUPAC2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid
SMILESCCOC(=O)C(C)NC(=O)NCC(CC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-4-8(9(14)15)6-12-11(17)13-7(3)10(16)18-5-2/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,17)
InChIKeyILLPZILUKUYYKL-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.35
Rot. Bonds7

About 2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid

2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid (PubChem CID 65221246) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid
PubChem CID65221246
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid
SMILESCCOC(=O)C(C)NC(=O)NCC(CC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-4-8(9(14)15)6-12-11(17)13-7(3)10(16)18-5-2/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,17)
InChIKeyILLPZILUKUYYKL-UHFFFAOYSA-N
XLogP0.35
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3-methylpentanoic acid
CID 61498748
2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid
CID 65223057
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 61499075
2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid
CID 65221683
2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid
CID 65223693
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl 3-[(1-butoxy-1-oxopropan-2-yl)carbamoylamino]-2-methylpropanoate
CID 58929052
2-[(hexan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65222200
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid
CID 61499191
2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
CID 65224335
(2R)-2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927781
4-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-2,2-dimethylbutanoic acid
CID 114285759

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid?
The IUPAC name of 2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid (CID 65221246) is 2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid?
The canonical SMILES for 2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid is CCOC(=O)C(C)NC(=O)NCC(CC)C(=O)O.
What is the InChIKey of 2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid?
The InChIKey is ILLPZILUKUYYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-4-8(9(14)15)6-12-11(17)13-7(3)10(16)18-5-2/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,17).
What are the key properties of 2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid?
2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid is sourced from PubChem (CID 65221246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).