1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid

C20H23N5O5S — CID 71698772

IUPAC1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid
SMILESNc1ncc(C(=O)NC[C@H]2CN(c3ccc(N4CCCCC4C(=O)O)cc3)C(=O)O2)s1
InChIInChI=1S/C20H23N5O5S/c21-19-23-10-16(31-19)17(26)22-9-14-11-25(20(29)30-14)13-6-4-12(5-7-13)24-8-2-1-3-15(24)18(27)28/h4-7,10,14-15H,1-3,8-9,11H2,(H2,21,23)(H,22,26)(H,27,28)/t14-,15?/m0/s1
InChIKeyOCQGNYHFTZASPN-MLCCFXAWSA-N
MW445.50 g/mol
LogP1.92
Rot. Bonds6

About 1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid

1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid (PubChem CID 71698772) has the molecular formula C20H23N5O5S and a molecular weight of 445.50 g/mol. Its IUPAC name is 1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid
PubChem CID71698772
Molecular FormulaC20H23N5O5S
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC Name1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid
SMILESNc1ncc(C(=O)NC[C@H]2CN(c3ccc(N4CCCCC4C(=O)O)cc3)C(=O)O2)s1
InChIInChI=1S/C20H23N5O5S/c21-19-23-10-16(31-19)17(26)22-9-14-11-25(20(29)30-14)13-6-4-12(5-7-13)24-8-2-1-3-15(24)18(27)28/h4-7,10,14-15H,1-3,8-9,11H2,(H2,21,23)(H,22,26)(H,27,28)/t14-,15?/m0/s1
InChIKeyOCQGNYHFTZASPN-MLCCFXAWSA-N
XLogP1.92
TPSA138.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methyl-2-oxopiperidine-3-carboxylic acid
CID 71698774
1-[4-[(5R)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methyl-2-oxopiperidine-3-carboxylic acid
CID 71698947
5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10158209
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
5-bromo-N-[[(5S)-2-oxo-3-[4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58777736
N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 58777757
5-bromo-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58777746
5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260
N-[[(5S)-3-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 162333740
5-chloro-N-[[3-[4-[1-[(cyclopentylamino)methyl]cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 53236613
1-[4-[(5S)-5-[[(4-carbamimidoylbenzoyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-4-carboxylic acid
CID 71699199
1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide
CID 110632565

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid (CID 71698772) is 1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid is Nc1ncc(C(=O)NC[C@H]2CN(c3ccc(N4CCCCC4C(=O)O)cc3)C(=O)O2)s1.
What is the InChIKey of 1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid?
The InChIKey is OCQGNYHFTZASPN-MLCCFXAWSA-N. The full InChI is InChI=1S/C20H23N5O5S/c21-19-23-10-16(31-19)17(26)22-9-14-11-25(20(29)30-14)13-6-4-12(5-7-13)24-8-2-1-3-15(24)18(27)28/h4-7,10,14-15H,1-3,8-9,11H2,(H2,21,23)(H,22,26)(H,27,28)/t14-,15?/m0/s1.
What are the key properties of 1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid?
1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid has a molecular weight of 445.50 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5S)-5-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 71698772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).