(4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C15H18N4O5 — CID 50851577

IUPAC(4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)Nc1ccc(CN2C(=O)OC[C@H]2C(=O)NCC(N)=O)cc1
InChIInChI=1S/C15H18N4O5/c1-9(20)18-11-4-2-10(3-5-11)7-19-12(8-24-15(19)23)14(22)17-6-13(16)21/h2-5,12H,6-8H2,1H3,(H2,16,21)(H,17,22)(H,18,20)/t12-/m0/s1
InChIKeyNLHSUKVWGDKFBT-LBPRGKRZSA-N
MW334.33 g/mol
LogP-0.43
Rot. Bonds6

About (4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851577) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is (4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851577
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name(4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)Nc1ccc(CN2C(=O)OC[C@H]2C(=O)NCC(N)=O)cc1
InChIInChI=1S/C15H18N4O5/c1-9(20)18-11-4-2-10(3-5-11)7-19-12(8-24-15(19)23)14(22)17-6-13(16)21/h2-5,12H,6-8H2,1H3,(H2,16,21)(H,17,22)(H,18,20)/t12-/m0/s1
InChIKeyNLHSUKVWGDKFBT-LBPRGKRZSA-N
XLogP-0.43
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851577) is (4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is CC(=O)Nc1ccc(CN2C(=O)OC[C@H]2C(=O)NCC(N)=O)cc1.
What is the InChIKey of (4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is NLHSUKVWGDKFBT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O5/c1-9(20)18-11-4-2-10(3-5-11)7-19-12(8-24-15(19)23)14(22)17-6-13(16)21/h2-5,12H,6-8H2,1H3,(H2,16,21)(H,17,22)(H,18,20)/t12-/m0/s1.
What are the key properties of (4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 334.33 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(4-acetamidophenyl)methyl]-N-(2-amino-2-oxoethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).