naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate

C15H13NO3 — CID 6455651

IUPACnaphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@@H](C(=O)Oc2cccc3ccccc23)N1
InChIInChI=1S/C15H13NO3/c17-14-9-8-12(16-14)15(18)19-13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H,16,17)/t12-/m0/s1
InChIKeyKBXKGZPUJFVDLQ-LBPRGKRZSA-N
MW255.27 g/mol
LogP2.02
Rot. Bonds2

About naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate

naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 6455651) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID6455651
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namenaphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@@H](C(=O)Oc2cccc3ccccc23)N1
InChIInChI=1S/C15H13NO3/c17-14-9-8-12(16-14)15(18)19-13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H,16,17)/t12-/m0/s1
InChIKeyKBXKGZPUJFVDLQ-LBPRGKRZSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetyl-DL-phenylalanine beta-naphthyl ester
CID 98192
(4S)-4-[(Naphthalen-2-yl)oxy]-L-proline
CID 12849531
(2R)-2-[2-(naphthalen-2-yloxy)acetamido]pentanedioic acid
CID 25138177
(5-methyl-2-propan-2-ylphenyl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 145986293
N-Acetyl-L-leucine 1-naphthyl ester
CID 44722558
naphthalen-1-yl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate
CID 22815045
(2-methylphenyl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 145983374
(2-cyanophenyl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 145985268
N-Acetylmethionine alpha-naphthyl ester
CID 125816
Prolyl-phenylalanyl-arginine naphthylester
CID 194494
naphthalen-2-yl (2S)-2-acetamido-3-phenylpropanoate
CID 6951050
N-Acetylalanine alpha-naphthyl ester
CID 125815

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate (CID 6455651) is naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate is O=C1CC[C@@H](C(=O)Oc2cccc3ccccc23)N1.
What is the InChIKey of naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is KBXKGZPUJFVDLQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14-9-8-12(16-14)15(18)19-13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H,16,17)/t12-/m0/s1.
What are the key properties of naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate?
naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 6455651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).