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

C13H25N3O5 — CID 62853753

IUPAC3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(C)CC(=O)NCCOC
InChIInChI=1S/C13H25N3O5/c1-5-16(8-10(2)12(18)19)13(20)15(3)9-11(17)14-6-7-21-4/h10H,5-9H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyOQCXMUCRZHTIBK-UHFFFAOYSA-N
MW303.36 g/mol
LogP-0.16
Rot. Bonds9

About 3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62853753) has the molecular formula C13H25N3O5 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID62853753
Molecular FormulaC13H25N3O5
Molecular Weight303.36 g/mol
Exact Mass303.18
IUPAC Name3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(C)CC(=O)NCCOC
InChIInChI=1S/C13H25N3O5/c1-5-16(8-10(2)12(18)19)13(20)15(3)9-11(17)14-6-7-21-4/h10H,5-9H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyOQCXMUCRZHTIBK-UHFFFAOYSA-N
XLogP-0.16
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-0.16
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

3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
CID 62852484
3-[ethyl-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853396
3-[ethyl-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852306
2-[ethylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47128037
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 115877350
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 61164170
3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
CID 62838866
2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065970
3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853214
2-[diethylcarbamoyl(methyl)amino]-N-ethylacetamide
CID 115618628
N-(2-methoxyethyl)-2-[methyl(3-oxopentan-2-yl)amino]acetamide
CID 64866282
(2R)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpentanamide
CID 93373594

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid (CID 62853753) is 3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)N(C)CC(=O)NCCOC.
What is the InChIKey of 3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is OQCXMUCRZHTIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5/c1-5-16(8-10(2)12(18)19)13(20)15(3)9-11(17)14-6-7-21-4/h10H,5-9H2,1-4H3,(H,14,17)(H,18,19).
What are the key properties of 3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 303.36 g/mol, XLogP of -0.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62853753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).