2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid

C11H19N3O4 — CID 79277072

IUPAC2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C11H19N3O4/c1-4-7-14(8-10(16)17)11(18)12-6-5-9(15)13(2)3/h4H,1,5-8H2,2-3H3,(H,12,18)(H,16,17)
InChIKeyAJTQWZWCEBIZHI-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.25
Rot. Bonds7

About 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid

2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid (PubChem CID 79277072) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid
PubChem CID79277072
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C11H19N3O4/c1-4-7-14(8-10(16)17)11(18)12-6-5-9(15)13(2)3/h4H,1,5-8H2,2-3H3,(H,12,18)(H,16,17)
InChIKeyAJTQWZWCEBIZHI-UHFFFAOYSA-N
XLogP-0.25
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.25
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-[4-methylpentylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79286173
2-[4-methoxybutylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79275399
2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79275995
2-[2,2-difluoroethylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 115408164
2-[(2-ethylphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79285251
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 81040886
2-[pentan-3-ylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79276869
2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid
CID 106262023
2-[2-(oxan-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid
CID 114135745
2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid
CID 106039692

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid (CID 79277072) is 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)NCCC(=O)N(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid?
The InChIKey is AJTQWZWCEBIZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-4-7-14(8-10(16)17)11(18)12-6-5-9(15)13(2)3/h4H,1,5-8H2,2-3H3,(H,12,18)(H,16,17).
What are the key properties of 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid?
2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79277072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).