methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate

C14H21N3O3 — CID 139579616

IUPACmethyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate
SMILESCOC(=O)CC(N)c1cncc(N2CCOC[C@@H]2C)c1
InChIInChI=1S/C14H21N3O3/c1-10-9-20-4-3-17(10)12-5-11(7-16-8-12)13(15)6-14(18)19-2/h5,7-8,10,13H,3-4,6,9,15H2,1-2H3/t10-,13?/m0/s1
InChIKeyRLYGRTMIAHZHES-NKUHCKNESA-N
MW279.34 g/mol
LogP0.87
Rot. Bonds4

About methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate

methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate (PubChem CID 139579616) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate
PubChem CID139579616
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate
SMILESCOC(=O)CC(N)c1cncc(N2CCOC[C@@H]2C)c1
InChIInChI=1S/C14H21N3O3/c1-10-9-20-4-3-17(10)12-5-11(7-16-8-12)13(15)6-14(18)19-2/h5,7-8,10,13H,3-4,6,9,15H2,1-2H3/t10-,13?/m0/s1
InChIKeyRLYGRTMIAHZHES-NKUHCKNESA-N
XLogP0.87
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-3-[6-methyl-5-(3-methylmorpholin-4-yl)-3-pyridinyl]propanoic acid
CID 139579840
methyl 3-amino-3-pyrimidin-5-ylpropanoate
CID 162342005
4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535670
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine
CID 93111746
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473
methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate
CID 163276638
N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535677
N-ethyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535674
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637361
methyl 2-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxylate
CID 133418545

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate?
The IUPAC name of methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate (CID 139579616) is methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate.
What is the SMILES notation for methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate?
The canonical SMILES for methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate is COC(=O)CC(N)c1cncc(N2CCOC[C@@H]2C)c1.
What is the InChIKey of methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate?
The InChIKey is RLYGRTMIAHZHES-NKUHCKNESA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-9-20-4-3-17(10)12-5-11(7-16-8-12)13(15)6-14(18)19-2/h5,7-8,10,13H,3-4,6,9,15H2,1-2H3/t10-,13?/m0/s1.
What are the key properties of methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate?
methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate has a molecular weight of 279.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate is sourced from PubChem (CID 139579616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).