(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid

C17H23N3O4 — CID 118763707

IUPAC(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid
SMILESCN1C[C@@H](NC(=O)c2ccccc2N2CCOCC2)C[C@H]1C(=O)O
InChIInChI=1S/C17H23N3O4/c1-19-11-12(10-15(19)17(22)23)18-16(21)13-4-2-3-5-14(13)20-6-8-24-9-7-20/h2-5,12,15H,6-11H2,1H3,(H,18,21)(H,22,23)/t12-,15-/m0/s1
InChIKeyYXXQPXSNZLPSKZ-WFASDCNBSA-N
MW333.39 g/mol
LogP0.41
Rot. Bonds4

About (2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid

(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid (PubChem CID 118763707) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid
PubChem CID118763707
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid
SMILESCN1C[C@@H](NC(=O)c2ccccc2N2CCOCC2)C[C@H]1C(=O)O
InChIInChI=1S/C17H23N3O4/c1-19-11-12(10-15(19)17(22)23)18-16(21)13-4-2-3-5-14(13)20-6-8-24-9-7-20/h2-5,12,15H,6-11H2,1H3,(H,18,21)(H,22,23)/t12-,15-/m0/s1
InChIKeyYXXQPXSNZLPSKZ-WFASDCNBSA-N
XLogP0.41
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
CID 91766122
2-morpholin-4-ylbenzohydrazide
CID 7148386
2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
CID 125165608
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide
CID 133112648
2-morpholin-4-yl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]benzamide
CID 97081663
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
(2S,4R)-4-[(4-chloro-2-fluorobenzoyl)amino]-1-methylpyrrolidine-2-carboxylic acid
CID 118765410
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone
CID 51100287
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide
CID 131939372

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid (CID 118763707) is (2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid is CN1C[C@@H](NC(=O)c2ccccc2N2CCOCC2)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid?
The InChIKey is YXXQPXSNZLPSKZ-WFASDCNBSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-19-11-12(10-15(19)17(22)23)18-16(21)13-4-2-3-5-14(13)20-6-8-24-9-7-20/h2-5,12,15H,6-11H2,1H3,(H,18,21)(H,22,23)/t12-,15-/m0/s1.
What are the key properties of (2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid?
(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118763707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).