2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid

C10H18N2O3 — CID 79261884

IUPAC2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CC(C)(C)N
InChIInChI=1S/C10H18N2O3/c1-4-5-12(7-9(14)15)8(13)6-10(2,3)11/h4H,1,5-7,11H2,2-3H3,(H,14,15)
InChIKeyFXSUTBPYOQRCHP-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.21
Rot. Bonds6

About 2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid

2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid (PubChem CID 79261884) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid
PubChem CID79261884
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CC(C)(C)N
InChIInChI=1S/C10H18N2O3/c1-4-5-12(7-9(14)15)8(13)6-10(2,3)11/h4H,1,5-7,11H2,2-3H3,(H,14,15)
InChIKeyFXSUTBPYOQRCHP-UHFFFAOYSA-N
XLogP0.21
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.21
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

3-amino-N-(2-methoxyethyl)-3-methyl-N-prop-2-enylbutanamide
CID 103338897
2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid
CID 79262862
2-[(3-amino-5,5-dimethylhexanoyl)-prop-2-enylamino]acetic acid
CID 113497085
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
5-[bis(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157304
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]-prop-2-enylamino]acetic acid
CID 103930166
2-[dodecanoyl(prop-2-enyl)amino]acetic acid
CID 79264275
2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid
CID 79263335
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
sodium N-(carboxymethyl)-N-prop-2-enylcarbamate
CID 90169836
2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285413
2-[(2-tert-butylphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79270854

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid (CID 79261884) is 2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)CC(C)(C)N.
What is the InChIKey of 2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid?
The InChIKey is FXSUTBPYOQRCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-5-12(7-9(14)15)8(13)6-10(2,3)11/h4H,1,5-7,11H2,2-3H3,(H,14,15).
What are the key properties of 2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid?
2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79261884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).