2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid

C24H30N4O10 — CID 118582200

IUPAC2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)CCCN1C(=O)C=CC1=O)CC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C24H30N4O10/c29-17(3-1-9-27-19(31)5-6-20(27)32)13-25(15-23(35)36)11-12-26(16-24(37)38)14-18(30)4-2-10-28-21(33)7-8-22(28)34/h5-8H,1-4,9-16H2,(H,35,36)(H,37,38)
InChIKeyLHVUCSRFGDEEOX-UHFFFAOYSA-N
MW534.52 g/mol
LogP-1.69
Rot. Bonds19

About 2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid

2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid (PubChem CID 118582200) has the molecular formula C24H30N4O10 and a molecular weight of 534.52 g/mol. Its IUPAC name is 2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid
PubChem CID118582200
Molecular FormulaC24H30N4O10
Molecular Weight534.52 g/mol
Exact Mass534.20
IUPAC Name2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)CCCN1C(=O)C=CC1=O)CC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C24H30N4O10/c29-17(3-1-9-27-19(31)5-6-20(27)32)13-25(15-23(35)36)11-12-26(16-24(37)38)14-18(30)4-2-10-28-21(33)7-8-22(28)34/h5-8H,1-4,9-16H2,(H,35,36)(H,37,38)
InChIKeyLHVUCSRFGDEEOX-UHFFFAOYSA-N
XLogP-1.69
TPSA189.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.52
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid (CID 118582200) is 2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid is O=C(O)CN(CCN(CC(=O)O)CC(=O)CCCN1C(=O)C=CC1=O)CC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid?
The InChIKey is LHVUCSRFGDEEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O10/c29-17(3-1-9-27-19(31)5-6-20(27)32)13-25(15-23(35)36)11-12-26(16-24(37)38)14-18(30)4-2-10-28-21(33)7-8-22(28)34/h5-8H,1-4,9-16H2,(H,35,36)(H,37,38).
What are the key properties of 2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid?
2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid has a molecular weight of 534.52 g/mol, XLogP of -1.69, 19 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethyl-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]acetic acid is sourced from PubChem (CID 118582200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).