2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid

C15H22N4O4 — CID 122077569

IUPAC2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)Nc1cccnc1N1CCOCC1)C(=O)O
InChIInChI=1S/C15H22N4O4/c1-11(14(20)21)10-18(2)15(22)17-12-4-3-5-16-13(12)19-6-8-23-9-7-19/h3-5,11H,6-10H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyJJYSIFIREIOKAY-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.10
Rot. Bonds5

About 2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid (PubChem CID 122077569) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid
PubChem CID122077569
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)Nc1cccnc1N1CCOCC1)C(=O)O
InChIInChI=1S/C15H22N4O4/c1-11(14(20)21)10-18(2)15(22)17-12-4-3-5-16-13(12)19-6-8-23-9-7-19/h3-5,11H,6-10H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyJJYSIFIREIOKAY-UHFFFAOYSA-N
XLogP1.10
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid with MolForge

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Related Compounds

2-methyl-3-(methylamino)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119845852
N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide
CID 166442532
3-amino-2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 120502859
3-amino-2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-phenylpropanamide
CID 119845839
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
2-amino-N-(2-morpholin-4-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 119845832
2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid
CID 122074817
1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 86850082
1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea
CID 119049270
2-methyl-3-[methyl-[(2-prop-2-ynoxyphenyl)carbamoyl]amino]propanoic acid
CID 122090530
4-amino-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119845870
3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide
CID 60576563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid (CID 122077569) is 2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid is CC(CN(C)C(=O)Nc1cccnc1N1CCOCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid?
The InChIKey is JJYSIFIREIOKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-11(14(20)21)10-18(2)15(22)17-12-4-3-5-16-13(12)19-6-8-23-9-7-19/h3-5,11H,6-10H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of 2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid has a molecular weight of 322.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122077569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).