3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid

C10H18N2O4 — CID 82821374

IUPAC3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCCN(CC(=O)NC)C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-5-12(6-7(13)11-4)8(14)10(2,3)9(15)16/h5-6H2,1-4H3,(H,11,13)(H,15,16)
InChIKeyDVUSZMHQLMUBJN-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.31
Rot. Bonds5

About 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid

3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid (PubChem CID 82821374) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid
PubChem CID82821374
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCCN(CC(=O)NC)C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-5-12(6-7(13)11-4)8(14)10(2,3)9(15)16/h5-6H2,1-4H3,(H,11,13)(H,15,16)
InChIKeyDVUSZMHQLMUBJN-UHFFFAOYSA-N
XLogP-0.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821282
3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821512
3-[tert-butyl-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 61449870
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 61156283
2-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 43579092
3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820640
(E)-4-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobut-2-enoic acid
CID 43578256
2-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62848178
N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 43616725
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 60707866
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
N-ethyl-2-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-oxoacetamide
CID 61450123

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid?
The IUPAC name of 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid (CID 82821374) is 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid?
The canonical SMILES for 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid is CCN(CC(=O)NC)C(=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid?
The InChIKey is DVUSZMHQLMUBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5-12(6-7(13)11-4)8(14)10(2,3)9(15)16/h5-6H2,1-4H3,(H,11,13)(H,15,16).
What are the key properties of 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid?
3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid is sourced from PubChem (CID 82821374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).