3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid

C14H21N3O3 — CID 139579840

IUPAC3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid
SMILESCc1ncc(C(N)CC(=O)O)cc1N1CCOCC1C
InChIInChI=1S/C14H21N3O3/c1-9-8-20-4-3-17(9)13-5-11(7-16-10(13)2)12(15)6-14(18)19/h5,7,9,12H,3-4,6,8,15H2,1-2H3,(H,18,19)
InChIKeyNJEQTWBJPJNKRT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.09
Rot. Bonds4

About 3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid

3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid (PubChem CID 139579840) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid
PubChem CID139579840
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid
SMILESCc1ncc(C(N)CC(=O)O)cc1N1CCOCC1C
InChIInChI=1S/C14H21N3O3/c1-9-8-20-4-3-17(9)13-5-11(7-16-10(13)2)12(15)6-14(18)19/h5,7,9,12H,3-4,6,8,15H2,1-2H3,(H,18,19)
InChIKeyNJEQTWBJPJNKRT-UHFFFAOYSA-N
XLogP1.09
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate
CID 139579616
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid
CID 158281224
3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
CID 117115891
2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane
CID 158073467
3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline
CID 93111224
2-amino-1-(3-methylmorpholin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 113279808
[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 62121725
4-amino-N-methyl-3-(3-methylmorpholin-4-yl)benzamide
CID 55189122
(3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine
CID 90456850
[4-(3-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 81246555

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid?
The IUPAC name of 3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid (CID 139579840) is 3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid.
What is the SMILES notation for 3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid?
The canonical SMILES for 3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid is Cc1ncc(C(N)CC(=O)O)cc1N1CCOCC1C.
What is the InChIKey of 3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid?
The InChIKey is NJEQTWBJPJNKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-8-20-4-3-17(9)13-5-11(7-16-10(13)2)12(15)6-14(18)19/h5,7,9,12H,3-4,6,8,15H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid?
3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 139579840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).