2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid

C13H20N2O2 — CID 83049481

IUPAC2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CC)Cc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-3-7-12(13(16)17)15(4-2)10-11-8-5-6-9-14-11/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,16,17)
InChIKeyPOLANIFIGBUQBV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.16
Rot. Bonds7

About 2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid

2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid (PubChem CID 83049481) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid
PubChem CID83049481
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CC)Cc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-3-7-12(13(16)17)15(4-2)10-11-8-5-6-9-14-11/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,16,17)
InChIKeyPOLANIFIGBUQBV-UHFFFAOYSA-N
XLogP2.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 71931375
2-[bis[2-[(1-carboxy-2,2-dimethylpropyl)-(pyridin-2-ylmethyl)amino]ethyl]amino]-3,3-dimethylbutanoic acid
CID 67876128
acetic acid;2-ethylpyridine
CID 70072313
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
CID 102088447
3-methyl-2-[methyl(pyridin-2-ylmethyl)carbamoyl]butanoic acid
CID 115186252
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate
CID 82838965
acetic acid;2-propylpyridine;hydrobromide
CID 70094168

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid?
The IUPAC name of 2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid (CID 83049481) is 2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid is CCCC(C(=O)O)N(CC)Cc1ccccn1.
What is the InChIKey of 2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid?
The InChIKey is POLANIFIGBUQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-7-12(13(16)17)15(4-2)10-11-8-5-6-9-14-11/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid?
2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 83049481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).