(4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid

C10H17N3O5 — CID 118308751

IUPAC(4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(=O)NNC(=O)[C@]1(C)COC(C)(C)N1C(=O)O
InChIInChI=1S/C10H17N3O5/c1-6(14)11-12-7(15)10(4)5-18-9(2,3)13(10)8(16)17/h5H2,1-4H3,(H,11,14)(H,12,15)(H,16,17)/t10-/m0/s1
InChIKeyTZAYJMQTQOHPPA-JTQLQIEISA-N
MW259.26 g/mol
LogP-0.34
Rot. Bonds1

About (4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid

(4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 118308751) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is (4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID118308751
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name(4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(=O)NNC(=O)[C@]1(C)COC(C)(C)N1C(=O)O
InChIInChI=1S/C10H17N3O5/c1-6(14)11-12-7(15)10(4)5-18-9(2,3)13(10)8(16)17/h5H2,1-4H3,(H,11,14)(H,12,15)(H,16,17)/t10-/m0/s1
InChIKeyTZAYJMQTQOHPPA-JTQLQIEISA-N
XLogP-0.34
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid (CID 118308751) is (4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid is CC(=O)NNC(=O)[C@]1(C)COC(C)(C)N1C(=O)O.
What is the InChIKey of (4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is TZAYJMQTQOHPPA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17N3O5/c1-6(14)11-12-7(15)10(4)5-18-9(2,3)13(10)8(16)17/h5H2,1-4H3,(H,11,14)(H,12,15)(H,16,17)/t10-/m0/s1.
What are the key properties of (4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid?
(4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of -0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(acetamidocarbamoyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 118308751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).