2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid

C19H38N4O8 — CID 123976668

IUPAC2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid
SMILESCCCCCC(NC(=O)COCCOCCNC(=O)COCCOCCNN)C(=O)O
InChIInChI=1S/C19H38N4O8/c1-2-3-4-5-16(19(26)27)23-18(25)15-31-13-10-28-8-6-21-17(24)14-30-12-11-29-9-7-22-20/h16,22H,2-15,20H2,1H3,(H,21,24)(H,23,25)(H,26,27)
InChIKeyMSQYZSAYYIFCFH-UHFFFAOYSA-N
MW450.53 g/mol
LogP-1.22
Rot. Bonds22

About 2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid

2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid (PubChem CID 123976668) has the molecular formula C19H38N4O8 and a molecular weight of 450.53 g/mol. Its IUPAC name is 2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid.

Molecular Properties

Compound Name2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid
PubChem CID123976668
Molecular FormulaC19H38N4O8
Molecular Weight450.53 g/mol
Exact Mass450.27
IUPAC Name2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid
SMILESCCCCCC(NC(=O)COCCOCCNC(=O)COCCOCCNN)C(=O)O
InChIInChI=1S/C19H38N4O8/c1-2-3-4-5-16(19(26)27)23-18(25)15-31-13-10-28-8-6-21-17(24)14-30-12-11-29-9-7-22-20/h16,22H,2-15,20H2,1H3,(H,21,24)(H,23,25)(H,26,27)
InChIKeyMSQYZSAYYIFCFH-UHFFFAOYSA-N
XLogP-1.22
TPSA170.47 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-6-[(2-bromoacetyl)amino]-2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 90261192
6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid
CID 139325563
(2R)-6-[(2-bromoacetyl)amino]-2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 130368722
18-[[(1S)-5-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-1-carboxypentyl]amino]-18-oxooctadecanoic acid
CID 154954207
5-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propanoylamino)pentanoic acid
CID 143771949
5-[2-[2-[2-[2-[2-[2-[[1-carboxy-5-(propanoylamino)pentyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-methyl-5-oxopentanoic acid
CID 88913068
5-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 89136764
2-(methylamino)-6-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 175629814
18-[[4-[2-[2-[2-[2-[2-[2-[[(1S)-4-[[4-(butylamino)-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 139387423
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]oxy-2-(octadecanoylamino)butanoic acid
CID 89002296
2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide
CID 147884881
14-[[4-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-14-oxotetradecanoic acid
CID 123378010

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid?
The IUPAC name of 2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid (CID 123976668) is 2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid.
What is the SMILES notation for 2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid?
The canonical SMILES for 2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid is CCCCCC(NC(=O)COCCOCCNC(=O)COCCOCCNN)C(=O)O.
What is the InChIKey of 2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid?
The InChIKey is MSQYZSAYYIFCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O8/c1-2-3-4-5-16(19(26)27)23-18(25)15-31-13-10-28-8-6-21-17(24)14-30-12-11-29-9-7-22-20/h16,22H,2-15,20H2,1H3,(H,21,24)(H,23,25)(H,26,27).
What are the key properties of 2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid?
2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid has a molecular weight of 450.53 g/mol, XLogP of -1.22, 22 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid is sourced from PubChem (CID 123976668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).