2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid

C13H24N2O5 — CID 116537456

IUPAC2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid
SMILESCOCCNC(=O)CCNC(=O)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-13(2,3)10(12(18)19)11(17)15-6-5-9(16)14-7-8-20-4/h10H,5-8H2,1-4H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyZRSQRKNGFSJSRL-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.00
Rot. Bonds8

About 2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid

2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid (PubChem CID 116537456) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid
PubChem CID116537456
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid
SMILESCOCCNC(=O)CCNC(=O)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-13(2,3)10(12(18)19)11(17)15-6-5-9(16)14-7-8-20-4/h10H,5-8H2,1-4H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyZRSQRKNGFSJSRL-UHFFFAOYSA-N
XLogP0.00
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropylcarbamoyl)-3,3-dimethylbutanoic acid
CID 116536707
3,3-dimethyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]butanoic acid
CID 116537453
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide
CID 112700885
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
CID 107034705
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
2-[[4-(2-methoxyethylamino)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 82043220
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid
CID 103263247
N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide
CID 113260438
3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide
CID 115649428

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid (CID 116537456) is 2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid is COCCNC(=O)CCNC(=O)C(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid?
The InChIKey is ZRSQRKNGFSJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-13(2,3)10(12(18)19)11(17)15-6-5-9(16)14-7-8-20-4/h10H,5-8H2,1-4H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid?
2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 116537456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).