[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate

C14H20N2O3 — CID 2635124

IUPAC[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
SMILESC[C@H](OC(=O)c1cccn1C)C(=O)NC1CCCC1
InChIInChI=1S/C14H20N2O3/c1-10(13(17)15-11-6-3-4-7-11)19-14(18)12-8-5-9-16(12)2/h5,8-11H,3-4,6-7H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyCEBDHICVCGTNQS-JTQLQIEISA-N
MW264.32 g/mol
LogP1.63
Rot. Bonds4

About [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate (PubChem CID 2635124) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
PubChem CID2635124
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
SMILESC[C@H](OC(=O)c1cccn1C)C(=O)NC1CCCC1
InChIInChI=1S/C14H20N2O3/c1-10(13(17)15-11-6-3-4-7-11)19-14(18)12-8-5-9-16(12)2/h5,8-11H,3-4,6-7H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyCEBDHICVCGTNQS-JTQLQIEISA-N
XLogP1.63
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate 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

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 7284564
[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3977392
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7435820
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998890
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 3637168
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3957199
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 37289545

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate (CID 2635124) is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate is C[C@H](OC(=O)c1cccn1C)C(=O)NC1CCCC1.
What is the InChIKey of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate?
The InChIKey is CEBDHICVCGTNQS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(13(17)15-11-6-3-4-7-11)19-14(18)12-8-5-9-16(12)2/h5,8-11H,3-4,6-7H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate?
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 2635124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).