propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate

C16H22N2O3 — CID 79843320

IUPACpropan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)CC2(N)CCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)21-15(20)12-4-6-13(7-5-12)18-14(19)10-16(17)8-3-9-16/h4-7,11H,3,8-10,17H2,1-2H3,(H,18,19)
InChIKeyMPODMPAWTDHXLS-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.46
Rot. Bonds5

About propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate

propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate (PubChem CID 79843320) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
PubChem CID79843320
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namepropan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)CC2(N)CCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)21-15(20)12-4-6-13(7-5-12)18-14(19)10-16(17)8-3-9-16/h4-7,11H,3,8-10,17H2,1-2H3,(H,18,19)
InChIKeyMPODMPAWTDHXLS-UHFFFAOYSA-N
XLogP2.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate
CID 65466796
4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid
CID 64678175
2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide
CID 64684135
2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 79851270
propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate
CID 7277193
propan-2-yl 4-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]benzoate
CID 8604556
propan-2-yl 4-[[2-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate
CID 9454501
2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
CID 60662033
propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate
CID 31011292
propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate
CID 8019758
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8772437

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate (CID 79843320) is propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)CC2(N)CCC2)cc1.
What is the InChIKey of propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate?
The InChIKey is MPODMPAWTDHXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)21-15(20)12-4-6-13(7-5-12)18-14(19)10-16(17)8-3-9-16/h4-7,11H,3,8-10,17H2,1-2H3,(H,18,19).
What are the key properties of propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate?
propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate has a molecular weight of 290.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate is sourced from PubChem (CID 79843320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).