(3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid

C16H18N2O5 — CID 125133422

IUPAC(3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid
SMILESCC(=O)N1CCc2cc(C(=O)N3CCOC[C@H]3C(=O)O)ccc21
InChIInChI=1S/C16H18N2O5/c1-10(19)17-5-4-11-8-12(2-3-13(11)17)15(20)18-6-7-23-9-14(18)16(21)22/h2-3,8,14H,4-7,9H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyPMZPBYPXOZKZER-AWEZNQCLSA-N
MW318.33 g/mol
LogP0.52
Rot. Bonds2

About (3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid

(3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid (PubChem CID 125133422) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is (3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid
PubChem CID125133422
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name(3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid
SMILESCC(=O)N1CCc2cc(C(=O)N3CCOC[C@H]3C(=O)O)ccc21
InChIInChI=1S/C16H18N2O5/c1-10(19)17-5-4-11-8-12(2-3-13(11)17)15(20)18-6-7-23-9-14(18)16(21)22/h2-3,8,14H,4-7,9H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyPMZPBYPXOZKZER-AWEZNQCLSA-N
XLogP0.52
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
4-(4-methyl-2,3-dihydro-1,4-benzoxazine-6-carbonyl)morpholine-3-carboxylic acid
CID 167817659
(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid
CID 125133531
(3R)-4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholine-3-carboxylic acid
CID 125153884
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
(3R)-4-[4-(methylsulfanylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513267
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid
CID 124513582
(4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 95174264
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
(3R)-4-[3-fluoro-4-(1,2,4-triazol-1-yl)benzoyl]morpholine-3-carboxylic acid
CID 125153726

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid (CID 125133422) is (3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid is CC(=O)N1CCc2cc(C(=O)N3CCOC[C@H]3C(=O)O)ccc21.
What is the InChIKey of (3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is PMZPBYPXOZKZER-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-10(19)17-5-4-11-8-12(2-3-13(11)17)15(20)18-6-7-23-9-14(18)16(21)22/h2-3,8,14H,4-7,9H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid?
(3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 125133422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).