4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid

C13H20N2O2 — CID 60833614

IUPAC4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)Cc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-11(2)15(9-3-4-13(16)17)10-12-5-7-14-8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyMQMWKCVIWZSMFD-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.16
Rot. Bonds7

About 4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid

4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid (PubChem CID 60833614) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid
PubChem CID60833614
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)Cc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-11(2)15(9-3-4-13(16)17)10-12-5-7-14-8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyMQMWKCVIWZSMFD-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

3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61201536
4-[(2-methylpyrazol-3-yl)methyl-propan-2-ylamino]butanoic acid
CID 65058245
3-[2-methylpropanoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82323624
4-[(3-hydroxy-4-methoxyphenyl)methyl-propan-2-ylamino]butanoic acid
CID 65058862
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
4-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]butanoic acid
CID 60833315
4-[isoquinolin-4-ylmethyl(propan-2-yl)amino]butanoic acid
CID 104505244
4-[benzyl(1-thiophen-2-ylethyl)amino]butanoic acid
CID 119135028
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol
CID 114274418
3-[(2-cyano-4-pyridinyl)methyl-propan-2-ylamino]propanoic acid
CID 63883330

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid (CID 60833614) is 4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid is CC(C)N(CCCC(=O)O)Cc1ccncc1.
What is the InChIKey of 4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid?
The InChIKey is MQMWKCVIWZSMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(2)15(9-3-4-13(16)17)10-12-5-7-14-8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid?
4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic 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 4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid is sourced from PubChem (CID 60833614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).