2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid

C9H16N2O3 — CID 103247604

IUPAC2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid
SMILESC=C(CNC(C)C(=O)N(C)C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(9(13)14)5-10-7(2)8(12)11(3)4/h7,10H,1,5H2,2-4H3,(H,13,14)
InChIKeyUVVHEFQHYLFWGY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.31
Rot. Bonds5

About 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid

2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid (PubChem CID 103247604) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid
PubChem CID103247604
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid
SMILESC=C(CNC(C)C(=O)N(C)C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(9(13)14)5-10-7(2)8(12)11(3)4/h7,10H,1,5H2,2-4H3,(H,13,14)
InChIKeyUVVHEFQHYLFWGY-UHFFFAOYSA-N
XLogP-0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-aminoethylamino)methyl]prop-2-enoic acid
CID 175034239
N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 54957153
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 61464849
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811101
N,N-dimethyl-2-(propylamino)propanamide
CID 43086179
(2S)-2-(2-hydroxyethylamino)-N,N-dimethylpropanamide
CID 86625703
2-[(3-ethylpentan-2-ylamino)methyl]prop-2-enoic acid
CID 103250756
2-[(1-ethylsulfanylpropan-2-ylamino)methyl]prop-2-enoic acid
CID 103267413
N,N-dimethyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 60711283
2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid
CID 103251168
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylpropanamide
CID 60672617
2-(2-hydroxybutylamino)-N,N-dimethylpropanamide
CID 61464462

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid (CID 103247604) is 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid is C=C(CNC(C)C(=O)N(C)C)C(=O)O.
What is the InChIKey of 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid?
The InChIKey is UVVHEFQHYLFWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(9(13)14)5-10-7(2)8(12)11(3)4/h7,10H,1,5H2,2-4H3,(H,13,14).
What are the key properties of 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid?
2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid is sourced from PubChem (CID 103247604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).