2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid

C24H23ClN2O4 — CID 78105496

IUPAC2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid
SMILESO=C(O)CC1OC(c2cccc(Cl)c2)C(c2cc3ccccc3[nH]2)N(CC2CC2)C1=O
InChIInChI=1S/C24H23ClN2O4/c25-17-6-3-5-16(10-17)23-22(19-11-15-4-1-2-7-18(15)26-19)27(13-14-8-9-14)24(30)20(31-23)12-21(28)29/h1-7,10-11,14,20,22-23,26H,8-9,12-13H2,(H,28,29)
InChIKeyKWKJBLCUJOSFCT-UHFFFAOYSA-N
MW438.91 g/mol
LogP4.72
Rot. Bonds6

About 2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid

2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid (PubChem CID 78105496) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is 2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid
PubChem CID78105496
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC Name2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid
SMILESO=C(O)CC1OC(c2cccc(Cl)c2)C(c2cc3ccccc3[nH]2)N(CC2CC2)C1=O
InChIInChI=1S/C24H23ClN2O4/c25-17-6-3-5-16(10-17)23-22(19-11-15-4-1-2-7-18(15)26-19)27(13-14-8-9-14)24(30)20(31-23)12-21(28)29/h1-7,10-11,14,20,22-23,26H,8-9,12-13H2,(H,28,29)
InChIKeyKWKJBLCUJOSFCT-UHFFFAOYSA-N
XLogP4.72
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic 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

2-[(2R,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-3-oxomorpholin-2-yl]acetic acid;methane
CID 161053866
2-[(2R,5R,6R)-6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(4-methylphenyl)-3-oxomorpholin-2-yl]acetic acid
CID 71544192
2-[(2R,6R)-5-(4-bromophenyl)-6-(3-chlorophenyl)-4-(cyclopropylmethyl)-3-oxomorpholin-2-yl]acetic acid
CID 122684494
2-[(2R,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclohexylmethyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclohexylmethyl)-3-oxomorpholin-2-yl]acetic acid
CID 160772810
2-[(2S,5S,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-3-oxomorpholin-2-yl]acetamide
CID 89478796
2-[(2S,5R,6S)-4-benzyl-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 86281778
2-[(2R,5S,6R)-4-benzyl-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 86281779
tert-butyl 2-[(2S,5R,6R)-5-[1-(benzenesulfonyl)indol-2-yl]-6-(3-chlorophenyl)-4-(cyclopropylmethyl)-3-oxomorpholin-2-yl]acetate
CID 89480306
2-[(2S,5R,6S)-4-butyl-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 90357422
(6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one
CID 167175884
2-[(3R,5R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
CID 58573344
(2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one
CID 86281388

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of 2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid (CID 78105496) is 2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for 2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid is O=C(O)CC1OC(c2cccc(Cl)c2)C(c2cc3ccccc3[nH]2)N(CC2CC2)C1=O.
What is the InChIKey of 2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is KWKJBLCUJOSFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c25-17-6-3-5-16(10-17)23-22(19-11-15-4-1-2-7-18(15)26-19)27(13-14-8-9-14)24(30)20(31-23)12-21(28)29/h1-7,10-11,14,20,22-23,26H,8-9,12-13H2,(H,28,29).
What are the key properties of 2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid?
2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 438.91 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(1H-indol-2-yl)-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 78105496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).