2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid

C7H13NO4 — CID 87917847

IUPAC2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid
SMILESC=CCN(CC)C(O)(O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-5-8(4-2)7(11,12)6(9)10/h3,11-12H,1,4-5H2,2H3,(H,9,10)
InChIKeyRLWQASXGHOOTOT-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.78
Rot. Bonds5

About 2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid

2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid (PubChem CID 87917847) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid.

Molecular Properties

Compound Name2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid
PubChem CID87917847
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid
SMILESC=CCN(CC)C(O)(O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-5-8(4-2)7(11,12)6(9)10/h3,11-12H,1,4-5H2,2H3,(H,9,10)
InChIKeyRLWQASXGHOOTOT-UHFFFAOYSA-N
XLogP-0.78
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821512
2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid
CID 174803700
bis(propane-1,1,1-triol);tris(prop-2-enoic acid)
CID 160840760
N-ethyl-N',N'-bis(prop-2-enyl)prop-2-enehydrazide
CID 87932412
chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid
CID 22495089
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
prop-2-enoic acid;2,2,2-trichloroacetic acid
CID 3054261
1-ethyl-1,3-dimethyl-3-prop-2-enylurea
CID 116657053
3-tert-butyl-1-ethyl-1-prop-2-enylurea
CID 115695087
2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
CID 114329005
chloromethane;chromium;prop-2-enoic acid
CID 174311629
2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid
CID 114495036

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid?
The IUPAC name of 2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid (CID 87917847) is 2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid.
What is the SMILES notation for 2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid?
The canonical SMILES for 2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid is C=CCN(CC)C(O)(O)C(=O)O.
What is the InChIKey of 2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid?
The InChIKey is RLWQASXGHOOTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-5-8(4-2)7(11,12)6(9)10/h3,11-12H,1,4-5H2,2H3,(H,9,10).
What are the key properties of 2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid?
2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid has a molecular weight of 175.18 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid is sourced from PubChem (CID 87917847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).