4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid

C14H20N2O3 — CID 119357185

IUPAC4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid
SMILESCC(C(=O)NC(C)(C)CCC(=O)O)c1cccnc1
InChIInChI=1S/C14H20N2O3/c1-10(11-5-4-8-15-9-11)13(19)16-14(2,3)7-6-12(17)18/h4-5,8-10H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyRIWDYMXQJALJJN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.94
Rot. Bonds6

About 4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid

4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid (PubChem CID 119357185) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid
PubChem CID119357185
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid
SMILESCC(C(=O)NC(C)(C)CCC(=O)O)c1cccnc1
InChIInChI=1S/C14H20N2O3/c1-10(11-5-4-8-15-9-11)13(19)16-14(2,3)7-6-12(17)18/h4-5,8-10H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyRIWDYMXQJALJJN-UHFFFAOYSA-N
XLogP1.94
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3,4-dichlorophenyl)propanoylamino]-4-methylpentanoic acid
CID 119204564
N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride
CID 119569353
N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride
CID 119573018
2-pyridin-3-ylpropanehydrazide
CID 116843938
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
N-[2-(methylamino)ethyl]-2-pyridin-3-ylpropanamide
CID 119500824
4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid
CID 119357149
N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide
CID 119527846
4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
CID 122088445
4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 119357610
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
CID 81405026

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid (CID 119357185) is 4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid is CC(C(=O)NC(C)(C)CCC(=O)O)c1cccnc1.
What is the InChIKey of 4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid?
The InChIKey is RIWDYMXQJALJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(11-5-4-8-15-9-11)13(19)16-14(2,3)7-6-12(17)18/h4-5,8-10H,6-7H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid?
4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid is sourced from PubChem (CID 119357185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).