3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid

C11H16N2O3 — CID 103250585

IUPAC3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid
SMILESCc1ccc(CNCC(O)CC(=O)O)cn1
InChIInChI=1S/C11H16N2O3/c1-8-2-3-9(6-13-8)5-12-7-10(14)4-11(15)16/h2-3,6,10,12,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyMYUWWESFWWCMII-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.32
Rot. Bonds6

About 3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid

3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid (PubChem CID 103250585) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid
PubChem CID103250585
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid
SMILESCc1ccc(CNCC(O)CC(=O)O)cn1
InChIInChI=1S/C11H16N2O3/c1-8-2-3-9(6-13-8)5-12-7-10(14)4-11(15)16/h2-3,6,10,12,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyMYUWWESFWWCMII-UHFFFAOYSA-N
XLogP0.32
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid
CID 64584052
1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 55025852
3-hydroxy-4-[(4-methylsulfanylphenyl)methylamino]butanoic acid
CID 115123036
1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 60969174
4-(1,3-benzoxazol-6-ylmethylamino)-3-hydroxybutanoic acid
CID 115123039
N,N-dimethyl-2-[(6-methyl-3-pyridinyl)methylamino]acetamide
CID 62995684
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 62996719
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62996029
(2S)-4-amino-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719043
5-[(6-methyl-3-pyridinyl)methylamino]-5-oxopentanoic acid
CID 62996023
(2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid
CID 79010063

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid?
The IUPAC name of 3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid (CID 103250585) is 3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid is Cc1ccc(CNCC(O)CC(=O)O)cn1.
What is the InChIKey of 3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid?
The InChIKey is MYUWWESFWWCMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-2-3-9(6-13-8)5-12-7-10(14)4-11(15)16/h2-3,6,10,12,14H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid?
3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid is sourced from PubChem (CID 103250585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).