3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid

C20H28N2O4 — CID 120613884

IUPAC3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)CC2(N3CCOCC3)CCCC2)c1
InChIInChI=1S/C20H28N2O4/c23-18(21-17-5-3-4-16(14-17)6-7-19(24)25)15-20(8-1-2-9-20)22-10-12-26-13-11-22/h3-5,14H,1-2,6-13,15H2,(H,21,23)(H,24,25)
InChIKeyFZRLIWFDPCNINO-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.68
Rot. Bonds7

About 3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid

3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid (PubChem CID 120613884) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid
PubChem CID120613884
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)CC2(N3CCOCC3)CCCC2)c1
InChIInChI=1S/C20H28N2O4/c23-18(21-17-5-3-4-16(14-17)6-7-19(24)25)15-20(8-1-2-9-20)22-10-12-26-13-11-22/h3-5,14H,1-2,6-13,15H2,(H,21,23)(H,24,25)
InChIKeyFZRLIWFDPCNINO-UHFFFAOYSA-N
XLogP2.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
N-[(2S)-2-hydroxy-3-phenylpropyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide
CID 97081899
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
3-[3-(azepane-1-carbonylamino)phenyl]propanoic acid
CID 115339440
3-[3-[[2-(carboxymethylsulfanyl)acetyl]amino]phenyl]propanoic acid
CID 120613796
3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid
CID 120613759
3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid
CID 122093056
3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
CID 115339894
3-[3-(3-cyclobutylpropanoylamino)phenyl]propanoic acid
CID 120538120
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
3-[3-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]phenyl]propanoic acid
CID 120613865
3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
CID 115339893

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid (CID 120613884) is 3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)CC2(N3CCOCC3)CCCC2)c1.
What is the InChIKey of 3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid?
The InChIKey is FZRLIWFDPCNINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-18(21-17-5-3-4-16(14-17)6-7-19(24)25)15-20(8-1-2-9-20)22-10-12-26-13-11-22/h3-5,14H,1-2,6-13,15H2,(H,21,23)(H,24,25).
What are the key properties of 3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid?
3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid has a molecular weight of 360.45 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 120613884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).