2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid

C14H18N2O4 — CID 115448556

IUPAC2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid
SMILESNCC1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCC1
InChIInChI=1S/C14H18N2O4/c15-9-14(6-1-7-14)13(19)16-10-2-4-11(5-3-10)20-8-12(17)18/h2-5H,1,6-9,15H2,(H,16,19)(H,17,18)
InChIKeyKBXRIURTYJZECH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.22
Rot. Bonds6

About 2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid

2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid (PubChem CID 115448556) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid
PubChem CID115448556
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid
SMILESNCC1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCC1
InChIInChI=1S/C14H18N2O4/c15-9-14(6-1-7-14)13(19)16-10-2-4-11(5-3-10)20-8-12(17)18/h2-5H,1,6-9,15H2,(H,16,19)(H,17,18)
InChIKeyKBXRIURTYJZECH-UHFFFAOYSA-N
XLogP1.22
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 120537255
1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 115452621
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
1-(aminomethyl)-N-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115183467
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100668327
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115447532
2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 81169639

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid (CID 115448556) is 2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid is NCC1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCC1.
What is the InChIKey of 2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid?
The InChIKey is KBXRIURTYJZECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-9-14(6-1-7-14)13(19)16-10-2-4-11(5-3-10)20-8-12(17)18/h2-5H,1,6-9,15H2,(H,16,19)(H,17,18).
What are the key properties of 2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid?
2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 115448556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).