2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid

C8H11NO3 — CID 57059088

IUPAC2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid
SMILESC=C(C)C(=O)NCC(=C)C(=O)O
InChIInChI=1S/C8H11NO3/c1-5(2)7(10)9-4-6(3)8(11)12/h1,3-4H2,2H3,(H,9,10)(H,11,12)
InChIKeyMLDPPSAGAFDMGG-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.32
Rot. Bonds4

About 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid

2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid (PubChem CID 57059088) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid
PubChem CID57059088
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid
SMILESC=C(C)C(=O)NCC(=C)C(=O)O
InChIInChI=1S/C8H11NO3/c1-5(2)7(10)9-4-6(3)8(11)12/h1,3-4H2,2H3,(H,9,10)(H,11,12)
InChIKeyMLDPPSAGAFDMGG-UHFFFAOYSA-N
XLogP0.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

beta-Ureidoisobutenoic acid
CID 54388195
2-Carboxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 12851418
N-methacryloyl-beta-alanine
CID 22483843
2-Carboxy-N-isopropylacrylamide
CID 53784208
2-[[(2,2,2-Trifluoroacetyl)amino]methyl]prop-2-enoic acid
CID 154397954
2-Carboxyprop-2-enyl(dimethyl)azanium
CID 134854492
2-(Ethylaminomethyl)prop-2-enoic acid
CID 17787601
2-(Ethylcarbamoyl)prop-2-enoic acid
CID 17885957
2-(Acetamidomethyl)prop-2-enoic acid
CID 18513114
2-(Methylaminomethyl)prop-2-enoic acid
CID 20146063
2-(Butylcarbamoyl)prop-2-enoic acid
CID 21079856
2-[(2-Methylprop-2-enoylamino)methyl]propanedioic acid
CID 21335619

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid (CID 57059088) is 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid is C=C(C)C(=O)NCC(=C)C(=O)O.
What is the InChIKey of 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid?
The InChIKey is MLDPPSAGAFDMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(2)7(10)9-4-6(3)8(11)12/h1,3-4H2,2H3,(H,9,10)(H,11,12).
What are the key properties of 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid?
2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid has a molecular weight of 169.18 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoic acid is sourced from PubChem (CID 57059088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).