6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid

C15H29N3O6 — CID 139325563

IUPAC6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid
SMILESCCCOCCOCC(=O)NC(CCCCNC(=O)CN)C(=O)O
InChIInChI=1S/C15H29N3O6/c1-2-7-23-8-9-24-11-14(20)18-12(15(21)22)5-3-4-6-17-13(19)10-16/h12H,2-11,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyKEDDDVMGYKNDRS-UHFFFAOYSA-N
MW347.41 g/mol
LogP-0.76
Rot. Bonds15

About 6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid

6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid (PubChem CID 139325563) has the molecular formula C15H29N3O6 and a molecular weight of 347.41 g/mol. Its IUPAC name is 6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid
PubChem CID139325563
Molecular FormulaC15H29N3O6
Molecular Weight347.41 g/mol
Exact Mass347.21
IUPAC Name6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid
SMILESCCCOCCOCC(=O)NC(CCCCNC(=O)CN)C(=O)O
InChIInChI=1S/C15H29N3O6/c1-2-7-23-8-9-24-11-14(20)18-12(15(21)22)5-3-4-6-17-13(19)10-16/h12H,2-11,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyKEDDDVMGYKNDRS-UHFFFAOYSA-N
XLogP-0.76
TPSA139.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-[(2-bromoacetyl)amino]-2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 90261192
(2R)-6-[(2-bromoacetyl)amino]-2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 130368722
2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid
CID 123976668
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
5-[[2-[[2-[[6-amino-6-oxo-5-[(2-propoxyacetyl)amino]hexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-(butanoylamino)-5-oxopentanoic acid
CID 170149544
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
2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide
CID 147884881
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
6-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]amino]-2-[(1,3-dimethoxy-1,3-dioxopropan-2-yl)amino]hexanoic acid
CID 87961234
18-[[(1S)-4-[2-[2-[2-[[(1S)-4-[[(1S)-4-[[(5S)-6-amino-5-methyl-6-oxohexyl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 118610094
2-[[2-[2-[2-[[4-carboxy-4-[(2-methyl-3-sulfopropanoyl)amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]-6-(propanoylamino)hexanoic acid
CID 88929681

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid (CID 139325563) is 6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid is CCCOCCOCC(=O)NC(CCCCNC(=O)CN)C(=O)O.
What is the InChIKey of 6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid?
The InChIKey is KEDDDVMGYKNDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O6/c1-2-7-23-8-9-24-11-14(20)18-12(15(21)22)5-3-4-6-17-13(19)10-16/h12H,2-11,16H2,1H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid?
6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid has a molecular weight of 347.41 g/mol, XLogP of -0.76, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid is sourced from PubChem (CID 139325563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).