5-(2-pyridin-4-ylethylamino)pentanoic acid

C12H18N2O2 — CID 103239957

IUPAC5-(2-pyridin-4-ylethylamino)pentanoic acid
SMILESO=C(O)CCCCNCCc1ccncc1
InChIInChI=1S/C12H18N2O2/c15-12(16)3-1-2-7-13-8-4-11-5-9-14-10-6-11/h5-6,9-10,13H,1-4,7-8H2,(H,15,16)
InChIKeyNZGIJBNSKUBFSN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.47
Rot. Bonds8

About 5-(2-pyridin-4-ylethylamino)pentanoic acid

5-(2-pyridin-4-ylethylamino)pentanoic acid (PubChem CID 103239957) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(2-pyridin-4-ylethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-pyridin-4-ylethylamino)pentanoic acid
PubChem CID103239957
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-(2-pyridin-4-ylethylamino)pentanoic acid
SMILESO=C(O)CCCCNCCc1ccncc1
InChIInChI=1S/C12H18N2O2/c15-12(16)3-1-2-7-13-8-4-11-5-9-14-10-6-11/h5-6,9-10,13H,1-4,7-8H2,(H,15,16)
InChIKeyNZGIJBNSKUBFSN-UHFFFAOYSA-N
XLogP1.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(pyridin-4-ylmethylamino)octanoic acid
CID 102039807
6-pyridin-4-ylhexanoic acid
CID 12904562
5-(2-pyridin-4-ylethylamino)pentan-1-ol
CID 62228451
4-(2-pyridin-4-ylethylamino)butan-2-one
CID 115235981
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 115122785
4-[2-(4-chlorophenyl)ethylamino]butanoic acid
CID 61380549
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
2-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetic acid
CID 103239967
5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-4-ylethylamino)pentanoic acid?
The IUPAC name of 5-(2-pyridin-4-ylethylamino)pentanoic acid (CID 103239957) is 5-(2-pyridin-4-ylethylamino)pentanoic acid.
What is the SMILES notation for 5-(2-pyridin-4-ylethylamino)pentanoic acid?
The canonical SMILES for 5-(2-pyridin-4-ylethylamino)pentanoic acid is O=C(O)CCCCNCCc1ccncc1.
What is the InChIKey of 5-(2-pyridin-4-ylethylamino)pentanoic acid?
The InChIKey is NZGIJBNSKUBFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(16)3-1-2-7-13-8-4-11-5-9-14-10-6-11/h5-6,9-10,13H,1-4,7-8H2,(H,15,16).
What are the key properties of 5-(2-pyridin-4-ylethylamino)pentanoic acid?
5-(2-pyridin-4-ylethylamino)pentanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-4-ylethylamino)pentanoic acid is sourced from PubChem (CID 103239957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).