2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate

C20H30N2O6-2 — CID 7124061

IUPAC2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate
SMILESO=C([O-])CC1(CC(=O)NCCNC(=O)CC2(CC(=O)[O-])CCCC2)CCCC1
InChIInChI=1S/C20H32N2O6/c23-15(11-19(13-17(25)26)5-1-2-6-19)21-9-10-22-16(24)12-20(14-18(27)28)7-3-4-8-20/h1-14H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/p-2
InChIKeyRSURDMMMNGGGLT-UHFFFAOYSA-L
MW394.47 g/mol
LogP-0.60
Rot. Bonds11

About 2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate

2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate (PubChem CID 7124061) has the molecular formula C20H30N2O6-2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate.

Molecular Properties

Compound Name2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate
PubChem CID7124061
Molecular FormulaC20H30N2O6-2
Molecular Weight394.47 g/mol
Exact Mass394.21
IUPAC Name2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate
SMILESO=C([O-])CC1(CC(=O)NCCNC(=O)CC2(CC(=O)[O-])CCCC2)CCCC1
InChIInChI=1S/C20H32N2O6/c23-15(11-19(13-17(25)26)5-1-2-6-19)21-9-10-22-16(24)12-20(14-18(27)28)7-3-4-8-20/h1-14H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/p-2
InChIKeyRSURDMMMNGGGLT-UHFFFAOYSA-L
XLogP-0.60
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate?
The IUPAC name of 2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate (CID 7124061) is 2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate.
What is the SMILES notation for 2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate?
The canonical SMILES for 2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate is O=C([O-])CC1(CC(=O)NCCNC(=O)CC2(CC(=O)[O-])CCCC2)CCCC1.
What is the InChIKey of 2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate?
The InChIKey is RSURDMMMNGGGLT-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H32N2O6/c23-15(11-19(13-17(25)26)5-1-2-6-19)21-9-10-22-16(24)12-20(14-18(27)28)7-3-4-8-20/h1-14H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/p-2.
What are the key properties of 2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate?
2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate has a molecular weight of 394.47 g/mol, XLogP of -0.60, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-[[2-[1-(carboxylatomethyl)cyclopentyl]acetyl]amino]ethylamino]-2-oxoethyl]cyclopentyl]acetate is sourced from PubChem (CID 7124061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).