2-(1-pyridin-4-ylethylamino)pentanoic acid

C12H18N2O2 — CID 65055511

IUPAC2-(1-pyridin-4-ylethylamino)pentanoic acid
SMILESCCCC(NC(C)c1ccncc1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-3-4-11(12(15)16)14-9(2)10-5-7-13-8-6-10/h5-9,11,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyNHSMQKJYOLDMOE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.99
Rot. Bonds6

About 2-(1-pyridin-4-ylethylamino)pentanoic acid

2-(1-pyridin-4-ylethylamino)pentanoic acid (PubChem CID 65055511) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-pyridin-4-ylethylamino)pentanoic acid.

Molecular Properties

Compound Name2-(1-pyridin-4-ylethylamino)pentanoic acid
PubChem CID65055511
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(1-pyridin-4-ylethylamino)pentanoic acid
SMILESCCCC(NC(C)c1ccncc1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-3-4-11(12(15)16)14-9(2)10-5-7-13-8-6-10/h5-9,11,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyNHSMQKJYOLDMOE-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61197706
2-[1-(4-cyanophenyl)ethylamino]pentanoic acid
CID 65055571
methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate
CID 103258897
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81405988
2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81409606
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]pentanoic acid
CID 83041861
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]pentanoic acid
CID 83041436
3-methyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258930
2-[1-(4-chlorophenyl)ethylamino]hexanoic acid
CID 103244944
2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
CID 103258955

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-4-ylethylamino)pentanoic acid?
The IUPAC name of 2-(1-pyridin-4-ylethylamino)pentanoic acid (CID 65055511) is 2-(1-pyridin-4-ylethylamino)pentanoic acid.
What is the SMILES notation for 2-(1-pyridin-4-ylethylamino)pentanoic acid?
The canonical SMILES for 2-(1-pyridin-4-ylethylamino)pentanoic acid is CCCC(NC(C)c1ccncc1)C(=O)O.
What is the InChIKey of 2-(1-pyridin-4-ylethylamino)pentanoic acid?
The InChIKey is NHSMQKJYOLDMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-11(12(15)16)14-9(2)10-5-7-13-8-6-10/h5-9,11,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-pyridin-4-ylethylamino)pentanoic acid?
2-(1-pyridin-4-ylethylamino)pentanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-4-ylethylamino)pentanoic acid is sourced from PubChem (CID 65055511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).