4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid

C9H18N2O4 — CID 106235413

IUPAC4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid
SMILESCC(CCC(=O)O)NCCOCC(N)=O
InChIInChI=1S/C9H18N2O4/c1-7(2-3-9(13)14)11-4-5-15-6-8(10)12/h7,11H,2-6H2,1H3,(H2,10,12)(H,13,14)
InChIKeyCZZFCZXIIPMTNZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.67
Rot. Bonds9

About 4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid

4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid (PubChem CID 106235413) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid.

Molecular Properties

Compound Name4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid
PubChem CID106235413
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid
SMILESCC(CCC(=O)O)NCCOCC(N)=O
InChIInChI=1S/C9H18N2O4/c1-7(2-3-9(13)14)11-4-5-15-6-8(10)12/h7,11H,2-6H2,1H3,(H2,10,12)(H,13,14)
InChIKeyCZZFCZXIIPMTNZ-UHFFFAOYSA-N
XLogP-0.67
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-carbamoyloxyethylamino)pentanoic acid
CID 83209314
3-(2-propoxyethylamino)butanamide
CID 106452583
(4R)-4-[(4-methoxy-4-oxobutyl)amino]pentanoic acid
CID 87857187
2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide
CID 106235256
2-[2-(heptan-3-ylamino)ethoxy]acetamide
CID 106235405
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
4-(6-hydroxyhexylamino)pentanoic acid
CID 107849657
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid
CID 114162551
2-[2-(methylamino)ethoxy]acetamide;hydrochloride
CID 90229092
2-[2-[1-(2-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106235715
2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide
CID 106237657

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid?
The IUPAC name of 4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid (CID 106235413) is 4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid.
What is the SMILES notation for 4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid?
The canonical SMILES for 4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid is CC(CCC(=O)O)NCCOCC(N)=O.
What is the InChIKey of 4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid?
The InChIKey is CZZFCZXIIPMTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-7(2-3-9(13)14)11-4-5-15-6-8(10)12/h7,11H,2-6H2,1H3,(H2,10,12)(H,13,14).
What are the key properties of 4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid?
4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.67, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid is sourced from PubChem (CID 106235413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).