[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate

C16H21NO4 — CID 40730891

IUPAC[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
SMILESC[C@@H](OC(=O)c1ccccc1O)C(=O)NC1CCCCC1
InChIInChI=1S/C16H21NO4/c1-11(15(19)17-12-7-3-2-4-8-12)21-16(20)13-9-5-6-10-14(13)18/h5-6,9-12,18H,2-4,7-8H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyRMTLUZSZMUXCRR-LLVKDONJSA-N
MW291.35 g/mol
LogP2.39
Rot. Bonds4

About [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate (PubChem CID 40730891) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
PubChem CID40730891
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
SMILESC[C@@H](OC(=O)c1ccccc1O)C(=O)NC1CCCCC1
InChIInChI=1S/C16H21NO4/c1-11(15(19)17-12-7-3-2-4-8-12)21-16(20)13-9-5-6-10-14(13)18/h5-6,9-12,18H,2-4,7-8H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyRMTLUZSZMUXCRR-LLVKDONJSA-N
XLogP2.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4791857
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786214
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 47004055
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476830
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 37289545
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate
CID 78915543
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373032

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The IUPAC name of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate (CID 40730891) is [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate.
What is the SMILES notation for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The canonical SMILES for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate is C[C@@H](OC(=O)c1ccccc1O)C(=O)NC1CCCCC1.
What is the InChIKey of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The InChIKey is RMTLUZSZMUXCRR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(15(19)17-12-7-3-2-4-8-12)21-16(20)13-9-5-6-10-14(13)18/h5-6,9-12,18H,2-4,7-8H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate has a molecular weight of 291.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate is sourced from PubChem (CID 40730891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).