(2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid

C16H18N2O4 — CID 124694565

IUPAC(2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
SMILESCc1cc(C)c2cc(C(=O)N3CCO[C@@H](C(=O)O)C3)[nH]c2c1
InChIInChI=1S/C16H18N2O4/c1-9-5-10(2)11-7-13(17-12(11)6-9)15(19)18-3-4-22-14(8-18)16(20)21/h5-7,14,17H,3-4,8H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyPKFVPVAEBOMXMV-CQSZACIVSA-N
MW302.33 g/mol
LogP1.71
Rot. Bonds2

About (2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid

(2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid (PubChem CID 124694565) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
PubChem CID124694565
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
SMILESCc1cc(C)c2cc(C(=O)N3CCO[C@@H](C(=O)O)C3)[nH]c2c1
InChIInChI=1S/C16H18N2O4/c1-9-5-10(2)11-7-13(17-12(11)6-9)15(19)18-3-4-22-14(8-18)16(20)21/h5-7,14,17H,3-4,8H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyPKFVPVAEBOMXMV-CQSZACIVSA-N
XLogP1.71
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119239311
(2S)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 124694567
2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248179
4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119238946
2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124695833
(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581120
(4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 95990079
(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78828303
(4,6-dimethyl-1H-indol-2-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734831
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
(4aS,8aS)-1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 97239150

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid (CID 124694565) is (2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid is Cc1cc(C)c2cc(C(=O)N3CCO[C@@H](C(=O)O)C3)[nH]c2c1.
What is the InChIKey of (2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is PKFVPVAEBOMXMV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-9-5-10(2)11-7-13(17-12(11)6-9)15(19)18-3-4-22-14(8-18)16(20)21/h5-7,14,17H,3-4,8H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid?
(2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 124694565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).