3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid

C14H20N2O3 — CID 82892878

IUPAC3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid
SMILESCOc1cc(C)nc(CN(CCC(=O)O)C2CC2)c1
InChIInChI=1S/C14H20N2O3/c1-10-7-13(19-2)8-11(15-10)9-16(12-3-4-12)6-5-14(17)18/h7-8,12H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyFISUSUROUDWSDK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.84
Rot. Bonds7

About 3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid

3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid (PubChem CID 82892878) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid
PubChem CID82892878
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid
SMILESCOc1cc(C)nc(CN(CCC(=O)O)C2CC2)c1
InChIInChI=1S/C14H20N2O3/c1-10-7-13(19-2)8-11(15-10)9-16(12-3-4-12)6-5-14(17)18/h7-8,12H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyFISUSUROUDWSDK-UHFFFAOYSA-N
XLogP1.84
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid with MolForge

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Related Compounds

N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 82895979
4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 82887262
N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine
CID 82895707
3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 79260864
3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60840037
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid
CID 82893491
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one
CID 82893033
2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 82892804
3-[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]propanoic acid
CID 60839372
3-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid
CID 60840392
N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82886634

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid (CID 82892878) is 3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid is COc1cc(C)nc(CN(CCC(=O)O)C2CC2)c1.
What is the InChIKey of 3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid?
The InChIKey is FISUSUROUDWSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-13(19-2)8-11(15-10)9-16(12-3-4-12)6-5-14(17)18/h7-8,12H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid?
3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid is sourced from PubChem (CID 82892878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).