methyl (5S)-5-amino-5-pyridin-3-ylpentanoate

C11H16N2O2 — CID 52951908

IUPACmethyl (5S)-5-amino-5-pyridin-3-ylpentanoate
SMILESCOC(=O)CCC[C@H](N)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-15-11(14)6-2-5-10(12)9-4-3-7-13-8-9/h3-4,7-8,10H,2,5-6,12H2,1H3/t10-/m0/s1
InChIKeyQULZEWYMBXCQLE-JTQLQIEISA-N
MW208.26 g/mol
LogP1.42
Rot. Bonds5

About methyl (5S)-5-amino-5-pyridin-3-ylpentanoate

methyl (5S)-5-amino-5-pyridin-3-ylpentanoate (PubChem CID 52951908) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl (5S)-5-amino-5-pyridin-3-ylpentanoate.

Molecular Properties

Compound Namemethyl (5S)-5-amino-5-pyridin-3-ylpentanoate
PubChem CID52951908
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl (5S)-5-amino-5-pyridin-3-ylpentanoate
SMILESCOC(=O)CCC[C@H](N)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-15-11(14)6-2-5-10(12)9-4-3-7-13-8-9/h3-4,7-8,10H,2,5-6,12H2,1H3/t10-/m0/s1
InChIKeyQULZEWYMBXCQLE-JTQLQIEISA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate
CID 10333786
methyl 7-amino-7-phenylheptanoate
CID 139616773
2,3-dihydroxybutanedioic acid;methyl (3S)-3-amino-3-pyridin-3-ylpropanoate
CID 158321669
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
CID 21156680
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
methyl 4-amino-3-pyridin-3-ylhexanoate
CID 66097725
3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 62602759
4-methoxy-1-pyridin-3-ylpentan-1-amine
CID 105098535
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-amino-5-pyridin-3-ylpentanoate?
The IUPAC name of methyl (5S)-5-amino-5-pyridin-3-ylpentanoate (CID 52951908) is methyl (5S)-5-amino-5-pyridin-3-ylpentanoate.
What is the SMILES notation for methyl (5S)-5-amino-5-pyridin-3-ylpentanoate?
The canonical SMILES for methyl (5S)-5-amino-5-pyridin-3-ylpentanoate is COC(=O)CCC[C@H](N)c1cccnc1.
What is the InChIKey of methyl (5S)-5-amino-5-pyridin-3-ylpentanoate?
The InChIKey is QULZEWYMBXCQLE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-11(14)6-2-5-10(12)9-4-3-7-13-8-9/h3-4,7-8,10H,2,5-6,12H2,1H3/t10-/m0/s1.
What are the key properties of methyl (5S)-5-amino-5-pyridin-3-ylpentanoate?
methyl (5S)-5-amino-5-pyridin-3-ylpentanoate has a molecular weight of 208.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-amino-5-pyridin-3-ylpentanoate is sourced from PubChem (CID 52951908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).