2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid

C24H44N4O7 — CID 126603056

IUPAC2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid
SMILESNC(=O)CN(CCN(CCN(CCCC1CCCCCCCC1)CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C24H44N4O7/c25-21(29)16-28(19-24(34)35)15-14-27(18-23(32)33)13-12-26(17-22(30)31)11-7-10-20-8-5-3-1-2-4-6-9-20/h20H,1-19H2,(H2,25,29)(H,30,31)(H,32,33)(H,34,35)
InChIKeyHGUVWYHNWLFCNS-UHFFFAOYSA-N
MW500.64 g/mol
LogP1.16
Rot. Bonds18

About 2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid

2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid (PubChem CID 126603056) has the molecular formula C24H44N4O7 and a molecular weight of 500.64 g/mol. Its IUPAC name is 2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid
PubChem CID126603056
Molecular FormulaC24H44N4O7
Molecular Weight500.64 g/mol
Exact Mass500.32
IUPAC Name2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid
SMILESNC(=O)CN(CCN(CCN(CCCC1CCCCCCCC1)CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C24H44N4O7/c25-21(29)16-28(19-24(34)35)15-14-27(18-23(32)33)13-12-26(17-22(30)31)11-7-10-20-8-5-3-1-2-4-6-9-20/h20H,1-19H2,(H2,25,29)(H,30,31)(H,32,33)(H,34,35)
InChIKeyHGUVWYHNWLFCNS-UHFFFAOYSA-N
XLogP1.16
TPSA164.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.64
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid with MolForge

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Related Compounds

2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclohept-3-en-1-ylpropyl)amino]acetic acid
CID 163382591
2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid
CID 107440629
2-[(2-amino-2-oxoethyl)-(cyclobutylmethyl)amino]acetic acid
CID 107440783
2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid
CID 107440465
2-[bis[2-[bis(2-amino-2-oxoethyl)amino]ethyl]amino]acetamide
CID 10134862
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbamic acid
CID 146494251
18-cyclohexyloctadecanamide
CID 70490920
2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid
CID 139393080
2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid
CID 60825422
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid?
The IUPAC name of 2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid (CID 126603056) is 2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid is NC(=O)CN(CCN(CCN(CCCC1CCCCCCCC1)CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid?
The InChIKey is HGUVWYHNWLFCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N4O7/c25-21(29)16-28(19-24(34)35)15-14-27(18-23(32)33)13-12-26(17-22(30)31)11-7-10-20-8-5-3-1-2-4-6-9-20/h20H,1-19H2,(H2,25,29)(H,30,31)(H,32,33)(H,34,35).
What are the key properties of 2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid?
2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid has a molecular weight of 500.64 g/mol, XLogP of 1.16, 18 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid is sourced from PubChem (CID 126603056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).