2-[2-methylprop-2-enoyl(propyl)amino]acetic acid

C9H15NO3 — CID 150716487

IUPAC2-[2-methylprop-2-enoyl(propyl)amino]acetic acid
SMILESC=C(C)C(=O)N(CCC)CC(=O)O
InChIInChI=1S/C9H15NO3/c1-4-5-10(6-8(11)12)9(13)7(2)3/h2,4-6H2,1,3H3,(H,11,12)
InChIKeyJOZCSYDJLYKZGM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.89
Rot. Bonds5

About 2-[2-methylprop-2-enoyl(propyl)amino]acetic acid

2-[2-methylprop-2-enoyl(propyl)amino]acetic acid (PubChem CID 150716487) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[2-methylprop-2-enoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylprop-2-enoyl(propyl)amino]acetic acid
PubChem CID150716487
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[2-methylprop-2-enoyl(propyl)amino]acetic acid
SMILESC=C(C)C(=O)N(CCC)CC(=O)O
InChIInChI=1S/C9H15NO3/c1-4-5-10(6-8(11)12)9(13)7(2)3/h2,4-6H2,1,3H3,(H,11,12)
InChIKeyJOZCSYDJLYKZGM-UHFFFAOYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
CID 61186126
2-[[(E)-2-methylpent-2-enoyl]-propylamino]acetic acid
CID 61012071
N-(2-methoxyethyl)-2-methyl-N-propylprop-2-enamide
CID 91054907
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
CID 89314896
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
2-[propyl(prop-2-ynoyl)amino]acetic acid
CID 61012212
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid
CID 113308947
2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid
CID 61201140

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylprop-2-enoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[2-methylprop-2-enoyl(propyl)amino]acetic acid (CID 150716487) is 2-[2-methylprop-2-enoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylprop-2-enoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylprop-2-enoyl(propyl)amino]acetic acid is C=C(C)C(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[2-methylprop-2-enoyl(propyl)amino]acetic acid?
The InChIKey is JOZCSYDJLYKZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-5-10(6-8(11)12)9(13)7(2)3/h2,4-6H2,1,3H3,(H,11,12).
What are the key properties of 2-[2-methylprop-2-enoyl(propyl)amino]acetic acid?
2-[2-methylprop-2-enoyl(propyl)amino]acetic acid has a molecular weight of 185.22 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylprop-2-enoyl(propyl)amino]acetic acid is sourced from PubChem (CID 150716487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).