5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid

C12H22N2O5 — CID 104686477

IUPAC5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCCN(CC(=O)OC)C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-4-14(8-10(15)19-3)12(18)13-7-5-6-9(2)11(16)17/h9H,4-8H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyVXSNDXLTQBRTJE-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.69
Rot. Bonds8

About 5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid

5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid (PubChem CID 104686477) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid
PubChem CID104686477
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCCN(CC(=O)OC)C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-4-14(8-10(15)19-3)12(18)13-7-5-6-9(2)11(16)17/h9H,4-8H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyVXSNDXLTQBRTJE-UHFFFAOYSA-N
XLogP0.69
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686480
4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839223
2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid
CID 65220842
5-[[butan-2-yl(ethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686221
5-[[butan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686220
5-[bis(prop-2-enyl)carbamoylamino]-2-methylpentanoic acid
CID 113441173
4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80540676
5-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686367
2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid
CID 104686265
5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686485
3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid (CID 104686477) is 5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid is CCN(CC(=O)OC)C(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid?
The InChIKey is VXSNDXLTQBRTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-4-14(8-10(15)19-3)12(18)13-7-5-6-9(2)11(16)17/h9H,4-8H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid?
5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 104686477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).