3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid

C13H17N3O4 — CID 119350991

IUPAC3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C13H17N3O4/c17-11(18)3-5-15-13(19)10-2-1-4-14-12(10)16-6-8-20-9-7-16/h1-2,4H,3,5-9H2,(H,15,19)(H,17,18)
InChIKeyLMVBWEXKVCEAMA-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.12
Rot. Bonds5

About 3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid

3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid (PubChem CID 119350991) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid
PubChem CID119350991
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C13H17N3O4/c17-11(18)3-5-15-13(19)10-2-1-4-14-12(10)16-6-8-20-9-7-16/h1-2,4H,3,5-9H2,(H,15,19)(H,17,18)
InChIKeyLMVBWEXKVCEAMA-UHFFFAOYSA-N
XLogP0.12
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119383590
2-morpholin-4-yl-N-pentylpyridine-3-carboxamide
CID 36701402
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 84576380
2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39897733
N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119496984
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51082187
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 94170870
2-morpholin-4-yl-N-naphthalen-1-ylpyridine-3-carboxamide
CID 34000334
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 46482531
N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 26126330
2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 25486327

Frequently Asked Questions

What is the IUPAC name of 3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid (CID 119350991) is 3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1cccnc1N1CCOCC1.
What is the InChIKey of 3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is LMVBWEXKVCEAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-11(18)3-5-15-13(19)10-2-1-4-14-12(10)16-6-8-20-9-7-16/h1-2,4H,3,5-9H2,(H,15,19)(H,17,18).
What are the key properties of 3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid?
3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 279.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119350991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).