2-methyl-2-(prop-2-enoylamino)propanoate

C7H10NO3- — CID 19018280

IUPAC2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(C)C(=O)[O-]
InChIInChI=1S/C7H11NO3/c1-4-5(9)8-7(2,3)6(10)11/h4H,1H2,2-3H3,(H,8,9)(H,10,11)/p-1
InChIKeyFPBFWDHYZMVTJD-UHFFFAOYSA-M
MW156.16 g/mol
LogP-1.18
Rot. Bonds3

About 2-methyl-2-(prop-2-enoylamino)propanoate

2-methyl-2-(prop-2-enoylamino)propanoate (PubChem CID 19018280) has the molecular formula C7H10NO3- and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Name2-methyl-2-(prop-2-enoylamino)propanoate
PubChem CID19018280
Molecular FormulaC7H10NO3-
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(C)C(=O)[O-]
InChIInChI=1S/C7H11NO3/c1-4-5(9)8-7(2,3)6(10)11/h4H,1H2,2-3H3,(H,8,9)(H,10,11)/p-1
InChIKeyFPBFWDHYZMVTJD-UHFFFAOYSA-M
XLogP-1.18
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
N-tert-butylprop-2-enamide;sulfane
CID 158648389
lithium 3-methyl-3-(prop-2-enoylamino)butanoate
CID 175226947
lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite
CID 175485708
N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride
CID 173206543
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid
CID 175096839
N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide
CID 130949338
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide
CID 153102951

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(prop-2-enoylamino)propanoate?
The IUPAC name of 2-methyl-2-(prop-2-enoylamino)propanoate (CID 19018280) is 2-methyl-2-(prop-2-enoylamino)propanoate.
What is the SMILES notation for 2-methyl-2-(prop-2-enoylamino)propanoate?
The canonical SMILES for 2-methyl-2-(prop-2-enoylamino)propanoate is C=CC(=O)NC(C)(C)C(=O)[O-].
What is the InChIKey of 2-methyl-2-(prop-2-enoylamino)propanoate?
The InChIKey is FPBFWDHYZMVTJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11NO3/c1-4-5(9)8-7(2,3)6(10)11/h4H,1H2,2-3H3,(H,8,9)(H,10,11)/p-1.
What are the key properties of 2-methyl-2-(prop-2-enoylamino)propanoate?
2-methyl-2-(prop-2-enoylamino)propanoate has a molecular weight of 156.16 g/mol, XLogP of -1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 19018280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).