(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid

C16H21NO4 — CID 125152832

IUPAC(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid
SMILESCc1ccc(CCCC(=O)N2CCOC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C16H21NO4/c1-12-5-7-13(8-6-12)3-2-4-15(18)17-9-10-21-11-14(17)16(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyQTBPJWVNPCLOHB-CQSZACIVSA-N
MW291.35 g/mol
LogP1.63
Rot. Bonds5

About (3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid

(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid (PubChem CID 125152832) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid
PubChem CID125152832
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid
SMILESCc1ccc(CCCC(=O)N2CCOC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C16H21NO4/c1-12-5-7-13(8-6-12)3-2-4-15(18)17-9-10-21-11-14(17)16(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyQTBPJWVNPCLOHB-CQSZACIVSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[4-(4-methoxyphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125133614
4-[4-(4-methylphenyl)-4-oxobutanoyl]morpholine-3-carboxylic acid
CID 119215840
1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid
CID 119176003
(3S)-4-[4-(2-methylphenoxy)butanoyl]morpholine-3-carboxylic acid
CID 125133599
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769
4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid
CID 119216664
(3S)-4-[3-(3-methylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513528
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
4-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]morpholine-3-carboxylic acid
CID 119216540
(3S)-4-[2-(2-methoxy-4-methylphenoxy)acetyl]morpholine-3-carboxylic acid
CID 125149365
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]morpholine-3-carboxylic acid
CID 119216378

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid (CID 125152832) is (3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid is Cc1ccc(CCCC(=O)N2CCOC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid?
The InChIKey is QTBPJWVNPCLOHB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12-5-7-13(8-6-12)3-2-4-15(18)17-9-10-21-11-14(17)16(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid?
(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125152832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).