3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid

C11H14N2O2 — CID 83820030

IUPAC3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid
SMILESO=C(O)CC(NC1CC1)c1ccncc1
InChIInChI=1S/C11H14N2O2/c14-11(15)7-10(13-9-1-2-9)8-3-5-12-6-4-8/h3-6,9-10,13H,1-2,7H2,(H,14,15)
InChIKeyPVDFKASGOSRVST-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.35
Rot. Bonds5

About 3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid

3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid (PubChem CID 83820030) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid
PubChem CID83820030
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid
SMILESO=C(O)CC(NC1CC1)c1ccncc1
InChIInChI=1S/C11H14N2O2/c14-11(15)7-10(13-9-1-2-9)8-3-5-12-6-4-8/h3-6,9-10,13H,1-2,7H2,(H,14,15)
InChIKeyPVDFKASGOSRVST-UHFFFAOYSA-N
XLogP1.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexylamino)-3-phenylpropanoic acid
CID 82931876
3-(cyclooctylamino)-3-thiophen-2-ylpropanoic acid
CID 43727644
3-(dimethylamino)-3-pyridin-4-ylpropanoic acid
CID 82125760
methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
3,3-dimethyl-1-[4-[[(1R)-1-pyridin-4-ylpropyl]amino]piperidin-1-yl]butan-1-one
CID 97322867
4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid
CID 122034366
(3R)-3-cyano-3-pyridin-4-ylpropanoic acid
CID 94827088
3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid
CID 81046611
(3S)-1-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124587850
3-methyl-5-oxo-5-(1-pyridin-4-ylethylamino)pentanoic acid
CID 62966418

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid (CID 83820030) is 3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid is O=C(O)CC(NC1CC1)c1ccncc1.
What is the InChIKey of 3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid?
The InChIKey is PVDFKASGOSRVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)7-10(13-9-1-2-9)8-3-5-12-6-4-8/h3-6,9-10,13H,1-2,7H2,(H,14,15).
What are the key properties of 3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid?
3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid has a molecular weight of 206.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 83820030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).