2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid

C15H24N2O5 — CID 119248775

IUPAC2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid
SMILESCC(NC(=O)C1CCCC1)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H24N2O5/c1-10(16-14(20)11-4-2-3-5-11)15(21)17-6-7-22-12(9-17)8-13(18)19/h10-12H,2-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyXIJVTXYFHZQUOG-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.38
Rot. Bonds5

About 2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid

2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 119248775) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid
PubChem CID119248775
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid
SMILESCC(NC(=O)C1CCCC1)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H24N2O5/c1-10(16-14(20)11-4-2-3-5-11)15(21)17-6-7-22-12(9-17)8-13(18)19/h10-12H,2-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyXIJVTXYFHZQUOG-UHFFFAOYSA-N
XLogP0.38
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid (CID 119248775) is 2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid is CC(NC(=O)C1CCCC1)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is XIJVTXYFHZQUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-10(16-14(20)11-4-2-3-5-11)15(21)17-6-7-22-12(9-17)8-13(18)19/h10-12H,2-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 312.37 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).