2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid

C15H20N2O4 — CID 105346152

IUPAC2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CN2CCOCC2C(N)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-10(15(19)20)12-4-2-11(3-5-12)8-17-6-7-21-9-13(17)14(16)18/h2-5,10,13H,6-9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyHFCIPXZRTPXOFU-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.56
Rot. Bonds5

About 2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid

2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid (PubChem CID 105346152) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid
PubChem CID105346152
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CN2CCOCC2C(N)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-10(15(19)20)12-4-2-11(3-5-12)8-17-6-7-21-9-13(17)14(16)18/h2-5,10,13H,6-9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyHFCIPXZRTPXOFU-UHFFFAOYSA-N
XLogP0.56
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889
4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83092821
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376
4-[(3-amino-5-methoxyphenyl)methyl]morpholine-3-carboxamide
CID 83101676
2-[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)phenyl]propanoic acid
CID 105346070
4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83096073
(3S)-4-[2-(4-methoxyphenyl)ethyl]morpholine-3-carboxamide
CID 97157333
4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
CID 83101795

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid (CID 105346152) is 2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid is CC(C(=O)O)c1ccc(CN2CCOCC2C(N)=O)cc1.
What is the InChIKey of 2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid?
The InChIKey is HFCIPXZRTPXOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(15(19)20)12-4-2-11(3-5-12)8-17-6-7-21-9-13(17)14(16)18/h2-5,10,13H,6-9H2,1H3,(H2,16,18)(H,19,20).
What are the key properties of 2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid?
2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid is sourced from PubChem (CID 105346152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).