2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid

C19H24N2O4 — CID 125151891

IUPAC2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid
SMILESCC(C)Cn1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)c2ccccc21
InChIInChI=1S/C19H24N2O4/c1-13(2)10-21-12-16(15-5-3-4-6-17(15)21)19(24)20-7-8-25-14(11-20)9-18(22)23/h3-6,12-14H,7-11H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyLXAPJTRLMMEJKA-AWEZNQCLSA-N
MW344.41 g/mol
LogP2.61
Rot. Bonds5

About 2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 125151891) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID125151891
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid
SMILESCC(C)Cn1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)c2ccccc21
InChIInChI=1S/C19H24N2O4/c1-13(2)10-21-12-16(15-5-3-4-6-17(15)21)19(24)20-7-8-25-14(11-20)9-18(22)23/h3-6,12-14H,7-11H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyLXAPJTRLMMEJKA-AWEZNQCLSA-N
XLogP2.61
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248799
(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 110900774
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone
CID 178132778
ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate
CID 55915165
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
2-[4-(2-nitrobenzoyl)morpholin-2-yl]acetic acid
CID 66421162
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248384
2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124704985
3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide
CID 167972694
2-[(2R)-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125151527

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid (CID 125151891) is 2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid is CC(C)Cn1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)c2ccccc21.
What is the InChIKey of 2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is LXAPJTRLMMEJKA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(2)10-21-12-16(15-5-3-4-6-17(15)21)19(24)20-7-8-25-14(11-20)9-18(22)23/h3-6,12-14H,7-11H2,1-2H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 344.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125151891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).