(3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid

C15H17N3O5 — CID 125133029

IUPAC(3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C15H17N3O5/c19-13(18-7-8-23-9-12(18)14(20)21)10-1-3-11(4-2-10)17-6-5-16-15(17)22/h1-4,12H,5-9H2,(H,16,22)(H,20,21)/t12-/m0/s1
InChIKeyBBKMMJWIZHTWCR-LBPRGKRZSA-N
MW319.32 g/mol
LogP0.14
Rot. Bonds3

About (3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid

(3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid (PubChem CID 125133029) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is (3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid
PubChem CID125133029
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name(3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C15H17N3O5/c19-13(18-7-8-23-9-12(18)14(20)21)10-1-3-11(4-2-10)17-6-5-16-15(17)22/h1-4,12H,5-9H2,(H,16,22)(H,20,21)/t12-/m0/s1
InChIKeyBBKMMJWIZHTWCR-LBPRGKRZSA-N
XLogP0.14
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
4-[4-(1,2,4-triazol-1-yl)benzoyl]morpholine-3-carboxylic acid
CID 122146530
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
CID 119216482
(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid
CID 125133531
1-[3-(3-methylmorpholine-4-carbonyl)phenyl]imidazolidin-2-one
CID 51087000
(3R)-4-[4-(methylsulfanylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513267
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
4-(4-propan-2-ylsulfinylbenzoyl)morpholine-3-carboxylic acid
CID 119216119
(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid
CID 124513582
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid (CID 125133029) is (3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of (3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid?
The InChIKey is BBKMMJWIZHTWCR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O5/c19-13(18-7-8-23-9-12(18)14(20)21)10-1-3-11(4-2-10)17-6-5-16-15(17)22/h1-4,12H,5-9H2,(H,16,22)(H,20,21)/t12-/m0/s1.
What are the key properties of (3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid?
(3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125133029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).