(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid

C17H23N3O4 — CID 125120657

IUPAC(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2ccc(N3CCCCCC3)nc2)CCO1
InChIInChI=1S/C17H23N3O4/c21-16(20-9-10-24-14(12-20)17(22)23)13-5-6-15(18-11-13)19-7-3-1-2-4-8-19/h5-6,11,14H,1-4,7-10,12H2,(H,22,23)/t14-/m0/s1
InChIKeyQOBUGUGFDZEXGQ-AWEZNQCLSA-N
MW333.39 g/mol
LogP1.39
Rot. Bonds3

About (2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid

(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid (PubChem CID 125120657) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid
PubChem CID125120657
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2ccc(N3CCCCCC3)nc2)CCO1
InChIInChI=1S/C17H23N3O4/c21-16(20-9-10-24-14(12-20)17(22)23)13-5-6-15(18-11-13)19-7-3-1-2-4-8-19/h5-6,11,14H,1-4,7-10,12H2,(H,22,23)/t14-/m0/s1
InChIKeyQOBUGUGFDZEXGQ-AWEZNQCLSA-N
XLogP1.39
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
4-(6-cyclopentyloxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 120526097
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158
piperidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]methanone
CID 70776837
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119378111
4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid
CID 119238696
4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxylic acid
CID 119357981
[6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56868455
4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 126793187
4-(4-prop-2-ynoxybenzoyl)morpholine-2-carboxylic acid
CID 119239020
3-methyl-1-[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]butan-1-one
CID 95194229

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid (CID 125120657) is (2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)c2ccc(N3CCCCCC3)nc2)CCO1.
What is the InChIKey of (2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is QOBUGUGFDZEXGQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-16(20-9-10-24-14(12-20)17(22)23)13-5-6-15(18-11-13)19-7-3-1-2-4-8-19/h5-6,11,14H,1-4,7-10,12H2,(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid?
(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125120657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).