3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid

C15H18N4O4 — CID 155961341

IUPAC3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid
SMILESCOCCn1ccc(C(=O)NC(CC(=O)O)c2ccccn2)n1
InChIInChI=1S/C15H18N4O4/c1-23-9-8-19-7-5-12(18-19)15(22)17-13(10-14(20)21)11-4-2-3-6-16-11/h2-7,13H,8-10H2,1H3,(H,17,22)(H,20,21)
InChIKeyLAHRWRKQBAIICU-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.87
Rot. Bonds8

About 3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid

3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid (PubChem CID 155961341) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid
PubChem CID155961341
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid
SMILESCOCCn1ccc(C(=O)NC(CC(=O)O)c2ccccn2)n1
InChIInChI=1S/C15H18N4O4/c1-23-9-8-19-7-5-12(18-19)15(22)17-13(10-14(20)21)11-4-2-3-6-16-11/h2-7,13H,8-10H2,1H3,(H,17,22)(H,20,21)
InChIKeyLAHRWRKQBAIICU-UHFFFAOYSA-N
XLogP0.87
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide
CID 122562645
(3S)-3-(phenylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid
CID 103667738
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide
CID 122557901
3,4-dihydroxy-4-pyridin-2-ylbutanoic acid
CID 171877086
N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide
CID 166224452
[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124622210
3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
CID 119951054
N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264560
2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 122556683
N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide
CID 101160308

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid?
The IUPAC name of 3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid (CID 155961341) is 3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid is COCCn1ccc(C(=O)NC(CC(=O)O)c2ccccn2)n1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid?
The InChIKey is LAHRWRKQBAIICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-23-9-8-19-7-5-12(18-19)15(22)17-13(10-14(20)21)11-4-2-3-6-16-11/h2-7,13H,8-10H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid?
3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid has a molecular weight of 318.33 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 155961341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).