2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid

C13H25N3O5 — CID 79815042

IUPAC2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N(C)CC(=O)NCCOC)C(=O)O
InChIInChI=1S/C13H25N3O5/c1-5-13(6-2,11(18)19)15-12(20)16(3)9-10(17)14-7-8-21-4/h5-9H2,1-4H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyPQQOGCHRPXZZBU-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.03
Rot. Bonds9

About 2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid

2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid (PubChem CID 79815042) has the molecular formula C13H25N3O5 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
PubChem CID79815042
Molecular FormulaC13H25N3O5
Molecular Weight303.36 g/mol
Exact Mass303.18
IUPAC Name2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N(C)CC(=O)NCCOC)C(=O)O
InChIInChI=1S/C13H25N3O5/c1-5-13(6-2,11(18)19)15-12(20)16(3)9-10(17)14-7-8-21-4/h5-9H2,1-4H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyPQQOGCHRPXZZBU-UHFFFAOYSA-N
XLogP0.03
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid with MolForge

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Related Compounds

2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 113219210
2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 79803567
2-[ethylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47128037
3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid
CID 79619625
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid
CID 79804656
2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid
CID 43529310
cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378992
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54875764
(2R)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpentanamide
CID 93373594
3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853753
2-[butyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 108994026
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 78954285

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid (CID 79815042) is 2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid is CCC(CC)(NC(=O)N(C)CC(=O)NCCOC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid?
The InChIKey is PQQOGCHRPXZZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5/c1-5-13(6-2,11(18)19)15-12(20)16(3)9-10(17)14-7-8-21-4/h5-9H2,1-4H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid?
2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid has a molecular weight of 303.36 g/mol, XLogP of 0.03, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 79815042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).