[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate

C13H16N2O3 — CID 7781150

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
SMILESC[C@@H](OC(=O)c1ccc(N)cc1)C(=O)NC1CC1
InChIInChI=1S/C13H16N2O3/c1-8(12(16)15-11-6-7-11)18-13(17)9-2-4-10(14)5-3-9/h2-5,8,11H,6-7,14H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyWHRFGZJOPOGOLW-MRVPVSSYSA-N
MW248.28 g/mol
LogP1.09
Rot. Bonds4

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate (PubChem CID 7781150) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
PubChem CID7781150
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
SMILESC[C@@H](OC(=O)c1ccc(N)cc1)C(=O)NC1CC1
InChIInChI=1S/C13H16N2O3/c1-8(12(16)15-11-6-7-11)18-13(17)9-2-4-10(14)5-3-9/h2-5,8,11H,6-7,14H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyWHRFGZJOPOGOLW-MRVPVSSYSA-N
XLogP1.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7507003
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 3637168
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 7764915
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 4876666
bis[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] benzene-1,3-dicarboxylate
CID 9016814
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322475
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 46790669
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 6998373
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-3-methylbenzoate
CID 61322016
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate (CID 7781150) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate is C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate?
The InChIKey is WHRFGZJOPOGOLW-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(12(16)15-11-6-7-11)18-13(17)9-2-4-10(14)5-3-9/h2-5,8,11H,6-7,14H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate has a molecular weight of 248.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate is sourced from PubChem (CID 7781150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).