3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid

C10H17NO3 — CID 82821512

IUPAC3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESC=CCN(CC)C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H17NO3/c1-5-7-11(6-2)8(12)10(3,4)9(13)14/h5H,1,6-7H2,2-4H3,(H,13,14)
InChIKeyOXOPZWBXWMVHEY-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.13
Rot. Bonds5

About 3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid

3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid (PubChem CID 82821512) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid
PubChem CID82821512
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESC=CCN(CC)C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H17NO3/c1-5-7-11(6-2)8(12)10(3,4)9(13)14/h5H,1,6-7H2,2-4H3,(H,13,14)
InChIKeyOXOPZWBXWMVHEY-UHFFFAOYSA-N
XLogP1.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
CID 114329005
3-tert-butyl-1-ethyl-1-prop-2-enylurea
CID 115695087
4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499014
3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821374
3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820640
2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid
CID 87917847
1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
2-ethoxy-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 146490139
3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821282
2-[bis(prop-2-enyl)carbamothioylsulfanyl]-2-methylpropanoic acid
CID 71364444
2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The IUPAC name of 3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid (CID 82821512) is 3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The canonical SMILES for 3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid is C=CCN(CC)C(=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The InChIKey is OXOPZWBXWMVHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-7-11(6-2)8(12)10(3,4)9(13)14/h5H,1,6-7H2,2-4H3,(H,13,14).
What are the key properties of 3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid is sourced from PubChem (CID 82821512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).