2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid

C10H18N2O4 — CID 79846049

IUPAC2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESNCCOCC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C10H18N2O4/c11-4-5-16-7-8(13)12-10(2-1-3-10)6-9(14)15/h1-7,11H2,(H,12,13)(H,14,15)
InChIKeyIZFQCRRHYLSQNS-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.52
Rot. Bonds7

About 2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 79846049) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid
PubChem CID79846049
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESNCCOCC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C10H18N2O4/c11-4-5-16-7-8(13)12-10(2-1-3-10)6-9(14)15/h1-7,11H2,(H,12,13)(H,14,15)
InChIKeyIZFQCRRHYLSQNS-UHFFFAOYSA-N
XLogP-0.52
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.52
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

2-[1-[[2-(2-methoxyethoxy)acetyl]amino]cyclopentyl]acetic acid
CID 64673171
2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid
CID 81168920
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
CID 79845201
2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
CID 79854754
2-[1-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclobutyl]acetic acid
CID 103555716
2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217956
2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162
2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid
CID 106239741
2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid
CID 119218188
2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid
CID 64685700
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid (CID 79846049) is 2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid is NCCOCC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is IZFQCRRHYLSQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-4-5-16-7-8(13)12-10(2-1-3-10)6-9(14)15/h1-7,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).