2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid

C26H35N5O10 — CID 134338360

IUPAC2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CCN(CC(=O)O)CC(=O)O)Cc1ccc2ccccc2n1
InChIInChI=1S/C26H35N5O10/c32-22(33)14-29(10-12-31(17-25(38)39)18-26(40)41)8-7-28(9-11-30(15-23(34)35)16-24(36)37)13-20-6-5-19-3-1-2-4-21(19)27-20/h1-6H,7-18H2,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)
InChIKeyFZWRRLNANSDVKV-UHFFFAOYSA-N
MW577.59 g/mol
LogP-0.63
Rot. Bonds21

About 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid (PubChem CID 134338360) has the molecular formula C26H35N5O10 and a molecular weight of 577.59 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
PubChem CID134338360
Molecular FormulaC26H35N5O10
Molecular Weight577.59 g/mol
Exact Mass577.24
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CCN(CC(=O)O)CC(=O)O)Cc1ccc2ccccc2n1
InChIInChI=1S/C26H35N5O10/c32-22(33)14-29(10-12-31(17-25(38)39)18-26(40)41)8-7-28(9-11-30(15-23(34)35)16-24(36)37)13-20-6-5-19-3-1-2-4-21(19)27-20/h1-6H,7-18H2,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)
InChIKeyFZWRRLNANSDVKV-UHFFFAOYSA-N
XLogP-0.63
TPSA212.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.59
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid with MolForge

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Related Compounds

2-[prop-2-enyl(quinolin-2-ylmethyl)amino]acetic acid
CID 79277558
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
CID 86023570
1,3-bis[bis(quinolin-2-ylmethyl)amino]propan-2-ol
CID 86080053
2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxymethyl)amino]acetic acid
CID 14975255
N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
CID 139172571
cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate
CID 139160361
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76928803
2-(quinolin-2-ylmethylsulfinyl)acetic acid
CID 60983732
1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione
CID 86049503

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid (CID 134338360) is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CCN(CC(=O)O)CC(=O)O)Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid?
The InChIKey is FZWRRLNANSDVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O10/c32-22(33)14-29(10-12-31(17-25(38)39)18-26(40)41)8-7-28(9-11-30(15-23(34)35)16-24(36)37)13-20-6-5-19-3-1-2-4-21(19)27-20/h1-6H,7-18H2,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41).
What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid?
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid has a molecular weight of 577.59 g/mol, XLogP of -0.63, 21 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 134338360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).