4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol

C16H34N2O7 — CID 146306787

IUPAC4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol
SMILESCCCCCOC(=O)C(N)CCC(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C10H19NO4.C6H15NO3/c1-2-3-4-7-15-10(14)8(11)5-6-9(12)13;8-4-1-7(2-5-9)3-6-10/h8H,2-7,11H2,1H3,(H,12,13);8-10H,1-6H2
InChIKeyUBQGOIXBXIUJRI-UHFFFAOYSA-N
MW366.46 g/mol
LogP-0.82
Rot. Bonds14

About 4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol

4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol (PubChem CID 146306787) has the molecular formula C16H34N2O7 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol
PubChem CID146306787
Molecular FormulaC16H34N2O7
Molecular Weight366.46 g/mol
Exact Mass366.24
IUPAC Name4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol
SMILESCCCCCOC(=O)C(N)CCC(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C10H19NO4.C6H15NO3/c1-2-3-4-7-15-10(14)8(11)5-6-9(12)13;8-4-1-7(2-5-9)3-6-10/h8H,2-7,11H2,1H3,(H,12,13);8-10H,1-6H2
InChIKeyUBQGOIXBXIUJRI-UHFFFAOYSA-N
XLogP-0.82
TPSA153.55 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 5-0.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride
CID 173171637
sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride
CID 174776148
4-amino-5-octadecanoyloxy-5-oxopentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol
CID 89414415
dipentyl (2S)-2-aminopentanedioate;hydrochloride
CID 139951057
dioctadecyl 2-aminopentanedioate
CID 10078023
ditetradecyl 2-aminopentanedioate
CID 14459260
dihexyl (2R)-2-aminopentanedioate
CID 87498981
8-[(6-decoxy-6-oxohexyl)-(2-hydroxyethyl)amino]octanoic acid
CID 175221133
6-[(6-decoxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoic acid
CID 175430453
dihexadecyl 2-aminopentanedioate;hydrochloride
CID 78067541
6-[(4-decoxy-4-oxobutyl)-(2-hydroxyethyl)amino]hexanoic acid
CID 175430422
8-[6-heptadecan-9-yloxycarbonyloxyhexyl(2-hydroxyethyl)amino]octanoic acid
CID 174317786

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol (CID 146306787) is 4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol is CCCCCOC(=O)C(N)CCC(=O)O.OCCN(CCO)CCO.
What is the InChIKey of 4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol?
The InChIKey is UBQGOIXBXIUJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4.C6H15NO3/c1-2-3-4-7-15-10(14)8(11)5-6-9(12)13;8-4-1-7(2-5-9)3-6-10/h8H,2-7,11H2,1H3,(H,12,13);8-10H,1-6H2.
What are the key properties of 4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol?
4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol has a molecular weight of 366.46 g/mol, XLogP of -0.82, 14 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 146306787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).