2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid

C11H20N2O3 — CID 79262862

IUPAC2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CNC(C)(C)C
InChIInChI=1S/C11H20N2O3/c1-5-6-13(8-10(15)16)9(14)7-12-11(2,3)4/h5,12H,1,6-8H2,2-4H3,(H,15,16)
InChIKeyGMGQOMMPKFLMFV-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.47
Rot. Bonds6

About 2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid

2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid (PubChem CID 79262862) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid
PubChem CID79262862
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CNC(C)(C)C
InChIInChI=1S/C11H20N2O3/c1-5-6-13(8-10(15)16)9(14)7-12-11(2,3)4/h5,12H,1,6-8H2,2-4H3,(H,15,16)
InChIKeyGMGQOMMPKFLMFV-UHFFFAOYSA-N
XLogP0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid
CID 79261884
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
2-[(3-amino-5,5-dimethylhexanoyl)-prop-2-enylamino]acetic acid
CID 113497085
2-(tert-butylamino)-N,N-diethylacetamide
CID 28586539
2-[dodecanoyl(prop-2-enyl)amino]acetic acid
CID 79264275
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]-prop-2-enylamino]acetic acid
CID 103930166
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
3-tert-butyl-1-ethyl-1-prop-2-enylurea
CID 115695087
2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79279874
sodium N-(carboxymethyl)-N-prop-2-enylcarbamate
CID 90169836
5-[bis(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157304
2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79275995

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid (CID 79262862) is 2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)CNC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid?
The InChIKey is GMGQOMMPKFLMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-6-13(8-10(15)16)9(14)7-12-11(2,3)4/h5,12H,1,6-8H2,2-4H3,(H,15,16).
What are the key properties of 2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid?
2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79262862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).