methyl 2-amino-5-pyridin-4-ylpentanoate

C11H16N2O2 — CID 116851646

IUPACmethyl 2-amino-5-pyridin-4-ylpentanoate
SMILESCOC(=O)C(N)CCCc1ccncc1
InChIInChI=1S/C11H16N2O2/c1-15-11(14)10(12)4-2-3-9-5-7-13-8-6-9/h5-8,10H,2-4,12H2,1H3
InChIKeySQEUVJNXGGWAKN-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.90
Rot. Bonds5

About methyl 2-amino-5-pyridin-4-ylpentanoate

methyl 2-amino-5-pyridin-4-ylpentanoate (PubChem CID 116851646) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-amino-5-pyridin-4-ylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-pyridin-4-ylpentanoate
PubChem CID116851646
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 2-amino-5-pyridin-4-ylpentanoate
SMILESCOC(=O)C(N)CCCc1ccncc1
InChIInChI=1S/C11H16N2O2/c1-15-11(14)10(12)4-2-3-9-5-7-13-8-6-9/h5-8,10H,2-4,12H2,1H3
InChIKeySQEUVJNXGGWAKN-UHFFFAOYSA-N
XLogP0.90
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959
methyl 2-amino-6-phenylhexanoate
CID 76830671
methyl (2S)-2-amino-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoate;hydrochloride
CID 168741293
methyl 2-amino-5-(3-fluorophenyl)pentanoate
CID 116851642
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate
CID 116851631
methyl 2-amino-4-(4-octylphenyl)butanoate;hydrochloride
CID 22618877
methyl 2-amino-4-(4-propylphenyl)butanoate
CID 116851455
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
methyl (2S)-2-amino-3-(4-pyridin-4-ylphenyl)propanoate
CID 66719580
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
acetic acid;methyl (2S)-2-amino-4-phenylbutanoate
CID 170899372

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-pyridin-4-ylpentanoate?
The IUPAC name of methyl 2-amino-5-pyridin-4-ylpentanoate (CID 116851646) is methyl 2-amino-5-pyridin-4-ylpentanoate.
What is the SMILES notation for methyl 2-amino-5-pyridin-4-ylpentanoate?
The canonical SMILES for methyl 2-amino-5-pyridin-4-ylpentanoate is COC(=O)C(N)CCCc1ccncc1.
What is the InChIKey of methyl 2-amino-5-pyridin-4-ylpentanoate?
The InChIKey is SQEUVJNXGGWAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-11(14)10(12)4-2-3-9-5-7-13-8-6-9/h5-8,10H,2-4,12H2,1H3.
What are the key properties of methyl 2-amino-5-pyridin-4-ylpentanoate?
methyl 2-amino-5-pyridin-4-ylpentanoate has a molecular weight of 208.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-pyridin-4-ylpentanoate is sourced from PubChem (CID 116851646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).