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

C11H20N2O3 — CID 79263608

IUPAC2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(CN)C(C)C
InChIInChI=1S/C11H20N2O3/c1-4-5-13(7-10(14)15)11(16)9(6-12)8(2)3/h4,8-9H,1,5-7,12H2,2-3H3,(H,14,15)
InChIKeyZAIFLVAVYNGQPH-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.32
Rot. Bonds7

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

2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid (PubChem CID 79263608) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid
PubChem CID79263608
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(CN)C(C)C
InChIInChI=1S/C11H20N2O3/c1-4-5-13(7-10(14)15)11(16)9(6-12)8(2)3/h4,8-9H,1,5-7,12H2,2-3H3,(H,14,15)
InChIKeyZAIFLVAVYNGQPH-UHFFFAOYSA-N
XLogP0.32
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.32
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-[[(2R)-2-amino-3,3-dimethylbutanoyl]-prop-2-enylamino]acetic acid
CID 103930166
2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 104903696
2-[[(2S,3S)-2-amino-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263366
2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid
CID 79265150
2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid
CID 107570062
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 80552743
2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid
CID 79263335
2-[[2-(carbamoylamino)-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263277
2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 65227548
2-[(2-amino-4-methylsulfonylbutanoyl)-prop-2-enylamino]acetic acid
CID 79264585
2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid
CID 116678360
2-[(1-methoxy-1-oxopropan-2-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276797

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid (CID 79263608) is 2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)C(CN)C(C)C.
What is the InChIKey of 2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid?
The InChIKey is ZAIFLVAVYNGQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-5-13(7-10(14)15)11(16)9(6-12)8(2)3/h4,8-9H,1,5-7,12H2,2-3H3,(H,14,15).
What are the key properties of 2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid?
2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79263608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).