2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid

C19H26N2O4 — CID 120521880

IUPAC2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C19H26N2O4/c1-18(2,3)14-7-5-13(6-8-14)17(25)20-12-15(22)21-19(9-4-10-19)11-16(23)24/h5-8H,4,9-12H2,1-3H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyMVRVTFNJMYZELS-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.23
Rot. Bonds6

About 2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid (PubChem CID 120521880) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid
PubChem CID120521880
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C19H26N2O4/c1-18(2,3)14-7-5-13(6-8-14)17(25)20-12-15(22)21-19(9-4-10-19)11-16(23)24/h5-8H,4,9-12H2,1-3H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyMVRVTFNJMYZELS-UHFFFAOYSA-N
XLogP2.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid with MolForge

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Related Compounds

2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid
CID 79844424
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid
CID 119217757
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79845339
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid (CID 120521880) is 2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid is CC(C)(C)c1ccc(C(=O)NCC(=O)NC2(CC(=O)O)CCC2)cc1.
What is the InChIKey of 2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is MVRVTFNJMYZELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-18(2,3)14-7-5-13(6-8-14)17(25)20-12-15(22)21-19(9-4-10-19)11-16(23)24/h5-8H,4,9-12H2,1-3H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of 2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 346.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 120521880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).