(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid

C14H14N2O4 — CID 124513582

IUPAC(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H14N2O4/c17-13(16-5-6-20-8-12(16)14(18)19)10-1-2-11-9(7-10)3-4-15-11/h1-4,7,12,15H,5-6,8H2,(H,18,19)/t12-/m0/s1
InChIKeyAQGDVPXCLAJIJM-LBPRGKRZSA-N
MW274.28 g/mol
LogP1.09
Rot. Bonds2

About (3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid

(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid (PubChem CID 124513582) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid
PubChem CID124513582
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H14N2O4/c17-13(16-5-6-20-8-12(16)14(18)19)10-1-2-11-9(7-10)3-4-15-11/h1-4,7,12,15H,5-6,8H2,(H,18,19)/t12-/m0/s1
InChIKeyAQGDVPXCLAJIJM-LBPRGKRZSA-N
XLogP1.09
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 112531994
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
1-(1H-indole-5-carbonyl)pyrrolidine-2-carboxamide
CID 63723246
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
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
1-(1H-indole-5-carbonyl)piperidine-2-carboxamide
CID 63719368
4-(2-oxo-1H-pyridine-4-carbonyl)morpholine-3-carboxamide
CID 103889379
4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 66462467
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid (CID 124513582) is (3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of (3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is AQGDVPXCLAJIJM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-13(16-5-6-20-8-12(16)14(18)19)10-1-2-11-9(7-10)3-4-15-11/h1-4,7,12,15H,5-6,8H2,(H,18,19)/t12-/m0/s1.
What are the key properties of (3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid?
(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 124513582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).