2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid

C14H19N3O4 — CID 114897147

IUPAC2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C14H19N3O4/c1-10(14(19)20)13(18)16-9-11-2-3-12(15-8-11)17-4-6-21-7-5-17/h2-3,8,10H,4-7,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyNYMBNIYIKPHYKI-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.26
Rot. Bonds5

About 2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid

2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid (PubChem CID 114897147) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
PubChem CID114897147
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C14H19N3O4/c1-10(14(19)20)13(18)16-9-11-2-3-12(15-8-11)17-4-6-21-7-5-17/h2-3,8,10H,4-7,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyNYMBNIYIKPHYKI-UHFFFAOYSA-N
XLogP0.26
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47046949
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 98753721
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119839457
2-(2-chlorophenoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 46581557
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 42934862
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
1-[(2S)-1-methoxypropan-2-yl]-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 34669155
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid?
The IUPAC name of 2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid (CID 114897147) is 2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid.
What is the SMILES notation for 2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid?
The canonical SMILES for 2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid is CC(C(=O)O)C(=O)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid?
The InChIKey is NYMBNIYIKPHYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10(14(19)20)13(18)16-9-11-2-3-12(15-8-11)17-4-6-21-7-5-17/h2-3,8,10H,4-7,9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid?
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid is sourced from PubChem (CID 114897147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).