4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid

C14H18N2O4 — CID 106312457

IUPAC4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
SMILESCc1ccc(C(N)C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C14H18N2O4/c1-9-2-4-10(5-3-9)12(15)13(17)16-6-7-20-8-11(16)14(18)19/h2-5,11-12H,6-8,15H2,1H3,(H,18,19)
InChIKeyMGKLOYXWCFIGEA-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.31
Rot. Bonds3

About 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid

4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid (PubChem CID 106312457) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
PubChem CID106312457
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
SMILESCc1ccc(C(N)C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C14H18N2O4/c1-9-2-4-10(5-3-9)12(15)13(17)16-6-7-20-8-11(16)14(18)19/h2-5,11-12H,6-8,15H2,1H3,(H,18,19)
InChIKeyMGKLOYXWCFIGEA-UHFFFAOYSA-N
XLogP0.31
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide
CID 106312666
(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 106312491
(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125153512
(2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106312428
4-(2-amino-2-phenylacetyl)-N-ethylmorpholine-3-carboxamide
CID 83098419
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125119447
1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 106312511
(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
CID 124513285
4-[4-(4-methylphenyl)-4-oxobutanoyl]morpholine-3-carboxylic acid
CID 119215840
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-amino-2-(4-methylphenyl)ethanone;hydrochloride
CID 120667541
4-[(2R)-2-aminopentanoyl]morpholine-3-carboxylic acid
CID 103871081
4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 103871078

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid (CID 106312457) is 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid is Cc1ccc(C(N)C(=O)N2CCOCC2C(=O)O)cc1.
What is the InChIKey of 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is MGKLOYXWCFIGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-2-4-10(5-3-9)12(15)13(17)16-6-7-20-8-11(16)14(18)19/h2-5,11-12H,6-8,15H2,1H3,(H,18,19).
What are the key properties of 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid?
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 106312457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).