2-aminopentanedioic acid;2-ethylpyridine

C12H18N2O4 — CID 174937923

IUPAC2-aminopentanedioic acid;2-ethylpyridine
SMILESCCc1ccccn1.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C7H9N.C5H9NO4/c1-2-7-5-3-4-6-8-7;6-3(5(9)10)1-2-4(7)8/h3-6H,2H2,1H3;3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyUYSKBFQOXBTJQE-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.91
Rot. Bonds5

About 2-aminopentanedioic acid;2-ethylpyridine

2-aminopentanedioic acid;2-ethylpyridine (PubChem CID 174937923) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-aminopentanedioic acid;2-ethylpyridine.

Molecular Properties

Compound Name2-aminopentanedioic acid;2-ethylpyridine
PubChem CID174937923
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-aminopentanedioic acid;2-ethylpyridine
SMILESCCc1ccccn1.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C7H9N.C5H9NO4/c1-2-7-5-3-4-6-8-7;6-3(5(9)10)1-2-4(7)8/h3-6H,2H2,1H3;3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyUYSKBFQOXBTJQE-UHFFFAOYSA-N
XLogP0.91
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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acetic acid;2-ethylpyridine
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(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
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(2S)-2-aminopentanedioic acid;benzene
CID 161035359
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
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ethane;2-ethylpyridine;propan-2-one
CID 91062133
2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
CID 170716889
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid
CID 59550352
(2S)-2-aminopentanedioic acid;anisole
CID 70447699
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid;2-ethylpyridine?
The IUPAC name of 2-aminopentanedioic acid;2-ethylpyridine (CID 174937923) is 2-aminopentanedioic acid;2-ethylpyridine.
What is the SMILES notation for 2-aminopentanedioic acid;2-ethylpyridine?
The canonical SMILES for 2-aminopentanedioic acid;2-ethylpyridine is CCc1ccccn1.NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminopentanedioic acid;2-ethylpyridine?
The InChIKey is UYSKBFQOXBTJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C5H9NO4/c1-2-7-5-3-4-6-8-7;6-3(5(9)10)1-2-4(7)8/h3-6H,2H2,1H3;3H,1-2,6H2,(H,7,8)(H,9,10).
What are the key properties of 2-aminopentanedioic acid;2-ethylpyridine?
2-aminopentanedioic acid;2-ethylpyridine has a molecular weight of 254.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid;2-ethylpyridine is sourced from PubChem (CID 174937923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).