2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid

C14H25N3O3 — CID 79286176

IUPAC2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H25N3O3/c1-4-7-17(11-13(18)19)14(20)16(3)10-12-5-8-15(2)9-6-12/h4,12H,1,5-11H2,2-3H3,(H,18,19)
InChIKeyYPVKVJMMQHYLHH-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.95
Rot. Bonds6

About 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid (PubChem CID 79286176) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid
PubChem CID79286176
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H25N3O3/c1-4-7-17(11-13(18)19)14(20)16(3)10-12-5-8-15(2)9-6-12/h4,12H,1,5-11H2,2-3H3,(H,18,19)
InChIKeyYPVKVJMMQHYLHH-UHFFFAOYSA-N
XLogP0.95
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclopropylmethyl(methyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276638
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476
2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 79271648
2-[(1-methylpiperidin-3-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79277227
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 105419751
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 61444099
2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
CID 79275611
2-[[methyl(3-methylbutyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276789
2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266036

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid (CID 79286176) is 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid?
The InChIKey is YPVKVJMMQHYLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-7-17(11-13(18)19)14(20)16(3)10-12-5-8-15(2)9-6-12/h4,12H,1,5-11H2,2-3H3,(H,18,19).
What are the key properties of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid?
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79286176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).