CID 140847052

C15H18NO4 — CID 140847052

IUPAC—
SMILESCC[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C([O])=O
InChIInChI=1S/C15H18NO4/c1-2-12-8-16(9-13(12)14(17)18)15(19)20-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m1/s1
InChIKeyHJINUZGISACPSE-OLZOCXBDSA-N
MW276.31 g/mol
LogP2.24
Rot. Bonds4

About CID 140847052

CID 140847052 (PubChem CID 140847052) has the molecular formula C15H18NO4 and a molecular weight of 276.31 g/mol.

Molecular Properties

Compound NameCID 140847052
PubChem CID140847052
Molecular FormulaC15H18NO4
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name—
SMILESCC[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C([O])=O
InChIInChI=1S/C15H18NO4/c1-2-12-8-16(9-13(12)14(17)18)15(19)20-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m1/s1
InChIKeyHJINUZGISACPSE-OLZOCXBDSA-N
XLogP2.24
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
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benzyl (3S,4S)-3-carbonochloridoyl-4-ethylpyrrolidine-1-carboxylate
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benzyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 46939493
benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate
CID 70961150
benzyl (3R,4S)-3-[2-[dimethyl(methylidene)-λ6-sulfanylidene]acetyl]-4-ethylpyrrolidine-1-carboxylate
CID 169014004
CID 165367240
CID 165367240
(3R,4S)-4-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 170901087
(3R,4R)-4-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 67126561
(3R,4S)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 25418029
benzyl (3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 91666693
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl (3S,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate
CID 71262078

Frequently Asked Questions

What is the IUPAC name of CID 140847052?
The IUPAC name of CID 140847052 (CID 140847052) is not available.
What is the SMILES notation for CID 140847052?
The canonical SMILES for CID 140847052 is CC[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C([O])=O.
What is the InChIKey of CID 140847052?
The InChIKey is HJINUZGISACPSE-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H18NO4/c1-2-12-8-16(9-13(12)14(17)18)15(19)20-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of CID 140847052?
CID 140847052 has a molecular weight of 276.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140847052 is sourced from PubChem (CID 140847052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).