2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid

C13H16N2O4 — CID 81169639

IUPAC2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
SMILESNC1(C(=O)Nc2cccc(OCC(=O)O)c2)CCC1
InChIInChI=1S/C13H16N2O4/c14-13(5-2-6-13)12(18)15-9-3-1-4-10(7-9)19-8-11(16)17/h1,3-4,7H,2,5-6,8,14H2,(H,15,18)(H,16,17)
InChIKeyYAANPFHMQURDKG-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.97
Rot. Bonds5

About 2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid

2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid (PubChem CID 81169639) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
PubChem CID81169639
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
SMILESNC1(C(=O)Nc2cccc(OCC(=O)O)c2)CCC1
InChIInChI=1S/C13H16N2O4/c14-13(5-2-6-13)12(18)15-9-3-1-4-10(7-9)19-8-11(16)17/h1,3-4,7H,2,5-6,8,14H2,(H,15,18)(H,16,17)
InChIKeyYAANPFHMQURDKG-UHFFFAOYSA-N
XLogP0.97
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119702073
1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide
CID 119284187
1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide
CID 119303127
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-amino-N-[3-(2-methylpropoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119714874
2-[3-[(2,2-difluoro-1-methylcyclopropanecarbonyl)amino]phenoxy]acetic acid
CID 122107685
1-amino-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 60867410
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891125
2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid
CID 119224839

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid (CID 81169639) is 2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid is NC1(C(=O)Nc2cccc(OCC(=O)O)c2)CCC1.
What is the InChIKey of 2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid?
The InChIKey is YAANPFHMQURDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-13(5-2-6-13)12(18)15-9-3-1-4-10(7-9)19-8-11(16)17/h1,3-4,7H,2,5-6,8,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid?
2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 81169639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).