3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid

C13H18N2O3 — CID 55123242

IUPAC3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)Cc1ccccn1
InChIInChI=1S/C13H18N2O3/c1-3-15(9-10(2)13(17)18)12(16)8-11-6-4-5-7-14-11/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyFSEKOLUHMALRGE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.19
Rot. Bonds6

About 3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid

3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid (PubChem CID 55123242) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
PubChem CID55123242
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)Cc1ccccn1
InChIInChI=1S/C13H18N2O3/c1-3-15(9-10(2)13(17)18)12(16)8-11-6-4-5-7-14-11/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyFSEKOLUHMALRGE-UHFFFAOYSA-N
XLogP1.19
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[propanoyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82323327
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
3-[ethyl-(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
CID 62825599
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
3-[ethyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123103
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62852454
2-[ethyl-(2-pyridin-2-ylacetyl)amino]propanamide
CID 173180177
2-[2-(dimethylamino)ethyl-(2-pyridin-2-ylacetyl)amino]acetic acid
CID 107424052
3-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-ethylamino]-2-methylpropanoic acid
CID 62825947
N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
CID 46999749
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid (CID 55123242) is 3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)Cc1ccccn1.
What is the InChIKey of 3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid?
The InChIKey is FSEKOLUHMALRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-15(9-10(2)13(17)18)12(16)8-11-6-4-5-7-14-11/h4-7,10H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid?
3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55123242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).