5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid

C10H18N2O4 — CID 175180977

IUPAC5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid
SMILESN#CC(CCCN(CCO)CCO)C(=O)O
InChIInChI=1S/C10H18N2O4/c11-8-9(10(15)16)2-1-3-12(4-6-13)5-7-14/h9,13-14H,1-7H2,(H,15,16)
InChIKeyQENDSSGTURUFKM-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.72
Rot. Bonds9

About 5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid

5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid (PubChem CID 175180977) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid.

Molecular Properties

Compound Name5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid
PubChem CID175180977
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid
SMILESN#CC(CCCN(CCO)CCO)C(=O)O
InChIInChI=1S/C10H18N2O4/c11-8-9(10(15)16)2-1-3-12(4-6-13)5-7-14/h9,13-14H,1-7H2,(H,15,16)
InChIKeyQENDSSGTURUFKM-UHFFFAOYSA-N
XLogP-0.72
TPSA104.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 88775041
2-cyanononadecanoic acid
CID 87316687
2-cyano-5-(2-methoxyethoxy)pentanoic acid
CID 163536414
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium
CID 87438440
2-[4-[dodecyl-[2-[dodecyl(2-hydroxyethyl)amino]ethyl]amino]butyl]heptanoic acid
CID 129286366
3-[bis(2-hydroxyethyl)amino]propylcarbamic acid
CID 19088424
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[4-aminopentyl(propyl)amino]ethanol
CID 45357637
bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid
CID 173189047
2,4-dicyanopent-4-enoic acid
CID 14709476
3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
CID 158407678

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid?
The IUPAC name of 5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid (CID 175180977) is 5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid.
What is the SMILES notation for 5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid?
The canonical SMILES for 5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid is N#CC(CCCN(CCO)CCO)C(=O)O.
What is the InChIKey of 5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid?
The InChIKey is QENDSSGTURUFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-8-9(10(15)16)2-1-3-12(4-6-13)5-7-14/h9,13-14H,1-7H2,(H,15,16).
What are the key properties of 5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid?
5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid is sourced from PubChem (CID 175180977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).