carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+)

C28H55CuN2O3 — CID 10626042

IUPACcarboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+)
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)[N-]CC(=O)O.[Cu+]
InChIInChI=1S/C28H56N2O3.Cu/c1-3-5-7-9-11-13-15-17-19-21-23-30(26-27(31)29-25-28(32)33)24-22-20-18-16-14-12-10-8-6-4-2;/h3-26H2,1-2H3,(H2,29,31,32,33);/q;+1/p-1
InChIKeySHTPORRMTCQVNO-UHFFFAOYSA-M
MW531.31 g/mol
LogP8.11
Rot. Bonds26

About carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+)

carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+) (PubChem CID 10626042) has the molecular formula C28H55CuN2O3 and a molecular weight of 531.31 g/mol. Its IUPAC name is carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+).

Molecular Properties

Compound Namecarboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+)
PubChem CID10626042
Molecular FormulaC28H55CuN2O3
Molecular Weight531.31 g/mol
Exact Mass530.35
IUPAC Namecarboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+)
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)[N-]CC(=O)O.[Cu+]
InChIInChI=1S/C28H56N2O3.Cu/c1-3-5-7-9-11-13-15-17-19-21-23-30(26-27(31)29-25-28(32)33)24-22-20-18-16-14-12-10-8-6-4-2;/h3-26H2,1-2H3,(H2,29,31,32,33);/q;+1/p-1
InChIKeySHTPORRMTCQVNO-UHFFFAOYSA-M
XLogP8.11
TPSA71.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.31
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 101313622
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CID 146831092
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
4-(didodecylamino)butanoic acid
CID 101313875
2-[(diheptylamino)methyl]prop-2-enoic acid
CID 87504555
3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid
CID 82326746
lithium 2-[di(tridecyl)amino]acetate
CID 101313614

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+)?
The IUPAC name of carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+) (CID 10626042) is carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+).
What is the SMILES notation for carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+)?
The canonical SMILES for carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+) is CCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)[N-]CC(=O)O.[Cu+].
What is the InChIKey of carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+)?
The InChIKey is SHTPORRMTCQVNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H56N2O3.Cu/c1-3-5-7-9-11-13-15-17-19-21-23-30(26-27(31)29-25-28(32)33)24-22-20-18-16-14-12-10-8-6-4-2;/h3-26H2,1-2H3,(H2,29,31,32,33);/q;+1/p-1.
What are the key properties of carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+)?
carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+) has a molecular weight of 531.31 g/mol, XLogP of 8.11, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-[2-(didodecylamino)acetyl]azanide;copper(1+) is sourced from PubChem (CID 10626042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).