2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid

C14H18N2O3 — CID 79845339

IUPAC2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
SMILESNCc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C14H18N2O3/c15-9-10-2-4-11(5-3-10)13(19)16-14(6-1-7-14)8-12(17)18/h2-5H,1,6-9,15H2,(H,16,19)(H,17,18)
InChIKeyIPSNRDUYLULDMS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.27
Rot. Bonds5

About 2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid

2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid (PubChem CID 79845339) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
PubChem CID79845339
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
SMILESNCc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C14H18N2O3/c15-9-10-2-4-11(5-3-10)13(19)16-14(6-1-7-14)8-12(17)18/h2-5H,1,6-9,15H2,(H,16,19)(H,17,18)
InChIKeyIPSNRDUYLULDMS-UHFFFAOYSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid (CID 79845339) is 2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid is NCc1ccc(C(=O)NC2(CC(=O)O)CCC2)cc1.
What is the InChIKey of 2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid?
The InChIKey is IPSNRDUYLULDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-9-10-2-4-11(5-3-10)13(19)16-14(6-1-7-14)8-12(17)18/h2-5H,1,6-9,15H2,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid?
2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).